{"id":"https://openalex.org/W1983220058","doi":"https://doi.org/10.1107/s0108270101002311","title":"16\u03b1,17\u03b1-Epoxy-20-oxopregn-5-en-3\u03b2-yl acetate","display_name":"16\u03b1,17\u03b1-Epoxy-20-oxopregn-5-en-3\u03b2-yl acetate","publication_year":2001,"publication_date":"2001-05-15","ids":{"openalex":"https://openalex.org/W1983220058","doi":"https://doi.org/10.1107/s0108270101002311","mag":"1983220058","pmid":"https://pubmed.ncbi.nlm.nih.gov/11353261"},"language":"en","primary_location":{"id":"doi:10.1107/s0108270101002311","doi":"https://doi.org/10.1107/s0108270101002311","is_oa":false,"landing_page_url":"https://doi.org/10.1107/s0108270101002311","pdf_url":null,"source":{"id":"https://openalex.org/S149116045","display_name":"Acta Crystallographica Section C Crystal Structure Communications","issn_l":"0108-2701","issn":["0108-2701","1600-5759"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section C Crystal Structure Communications","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5085384103","display_name":"Lourdes C. R. Andrade","orcid":"https://orcid.org/0000-0001-6560-0347","observed_orcids":["https://orcid.org/0000-0001-6560-0347"]},"institutions":[{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"L. C. R. Andrade","raw_affiliation_strings":["Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, Portugal","Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, Portugal","institution_ids":["https://openalex.org/I76903346"]},{"raw_affiliation_string":"Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal","institution_ids":["https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087366848","display_name":"Jos\u00e9 Ant\u00f3nio Paix\u00e3o","orcid":"https://orcid.org/0000-0003-4634-7395","observed_orcids":["https://orcid.org/0000-0003-4634-7395"]},"institutions":[{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"J. A. Paix\u00e3o","raw_affiliation_strings":["Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal","institution_ids":["https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046756293","display_name":"M. J. M. de Almeida","orcid":"https://orcid.org/0000-0002-5814-968X","observed_orcids":["https://orcid.org/0000-0002-5814-968X"]},"institutions":[{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"M. J. M. de Almeida","raw_affiliation_strings":["Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de F\u00edsica, Faculdade de Ci\u00eancias e Tecnologia, Universidade de Coimbra, P-3000-516 Coimbra, Portugal","institution_ids":["https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101492898","display_name":"Rosa Martins","orcid":"https://orcid.org/0000-0003-1842-4840","observed_orcids":["https://orcid.org/0000-0003-1842-4840"]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"R. M. L. M. Martins","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":null,"display_name":"H. I. M. Soares","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"H. I. M. Soares","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111569628","display_name":"G. J. R. Morais","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"G. J. R. Morais","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075660232","display_name":"Maria Jos\u00e9 S.M. Moreno","orcid":"https://orcid.org/0000-0002-0552-9881","observed_orcids":["https://orcid.org/0000-0002-0552-9881"]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"M. J. S. M. Moreno","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmaceutica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080634170","display_name":"Maria Luisa S\u00e1 e Melo","orcid":"https://orcid.org/0000-0002-4541-2063","observed_orcids":["https://orcid.org/0000-0002-4541-2063"]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"M. L. S\u00e1 e Melo","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112446996","display_name":"A. S. Campos Neves","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4405255790","display_name":"Centro de Estudos Farmaceuticos","ror":"https://ror.org/03e4pc311","country_code":"PT","type":"facility","lineage":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]},{"id":"https://openalex.org/I76903346","display_name":"University of Coimbra","ror":"https://ror.org/04z8k9a98","country_code":"PT","type":"education","lineage":["https://openalex.org/I76903346"]}],"countries":["PT"],"is_corresponding":false,"raw_author_name":"A. S. Campos Neves","raw_affiliation_strings":["Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centro de Estudos Farmac\u00eauticos, Laborat\u00f3rio de Qu\u00edmica Farmac\u00eautica, Faculdade de Farm\u00e1cia, Universidade de Coimbra, P-3000-295 Coimbra, Portugal","institution_ids":["https://openalex.org/I4405255790","https://openalex.org/I76903346"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3760,"currency":"USD","value_usd":3760},"apc_paid":null,"fwci":0.4963,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.56155394,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"57","issue":"5","first_page":"587","last_page":"589"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9932000041007996,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10464","display_name":"Crystal structures of chemical compounds","score":0.9932000041007996,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13736","display_name":"Steroid Chemistry and Biochemistry","score":0.005900000222027302,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13185","display_name":"Phytochemistry and Bioactive Compounds","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pregnanes","display_name":"pregnane derivatives","score":0.5479999780654907},{"id":"https://openalex.org/keywords/steroid-epoxides","display_name":"steroid epoxides","score":0.6740000247955322},{"id":"https://openalex.org/keywords/molecular-conformation","display_name":"molecular conformation","score":0.828000009059906},{"id":"https://openalex.org/keywords/chair-conformation","display_name":"chair conformation","score":0.8059999942779541},{"id":"https://openalex.org/keywords/half-chair-conformation","display_name":"half-chair conformation","score":0.9480000138282776},{"id":"https://openalex.org/keywords/envelope-conformation","display_name":"envelope conformation","score":0.9350000023841858},{"id":"https://openalex.org/keywords/acetoxy-substituents","display_name":"acetoxy substituents","score":0.6349999904632568},{"id":"https://openalex.org/keywords/acetyl-substituents","display_name":"acetyl substituents","score":0.8230000138282776},{"id":"https://openalex.org/keywords/crystal-packing","display_name":"crystal packing","score":0.6480000019073486},{"id":"https://openalex.org/keywords/c-ho-hydrogen-bonds","display_name":"C-H\u22efO hydrogen bonds","score":0.7799999713897705},{"id":"https://openalex.org/keywords/van-der-waals-forces","display_name":"van der Waals interactions","score":0.8489999771118164}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7633218765258789},{"id":"https://openalex.org/C126061179","wikidata":"https://www.wikidata.org/wiki/Q189627","display_name":"van der Waals force","level":3,"score":0.7347874641418457},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.6157821416854858},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5978277921676636},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.5546402931213379},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.528014600276947},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.4427715539932251},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4354773759841919},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11550033092498779}],"mesh":[{"descriptor_ui":"D011278","descriptor_name":"Pregnanes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011284","descriptor_name":"Pregnenolone","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D011284","descriptor_name":"Pregnenolone","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D018360","descriptor_name":"Crystallography, X-Ray","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1107/s0108270101002311","doi":"https://doi.org/10.1107/s0108270101002311","is_oa":false,"landing_page_url":"https://doi.org/10.1107/s0108270101002311","pdf_url":null,"source":{"id":"https://openalex.org/S149116045","display_name":"Acta Crystallographica Section C Crystal Structure Communications","issn_l":"0108-2701","issn":["0108-2701","1600-5759"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta Crystallographica Section C Crystal Structure Communications","raw_type":"journal-article"},{"id":"pmid:11353261","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/11353261","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Acta crystallographica. Section C, Crystal structure communications","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W1512464643","https://openalex.org/W1967697948","https://openalex.org/W1970123635","https://openalex.org/W1982414593","https://openalex.org/W2022950330","https://openalex.org/W2056236121","https://openalex.org/W2148066840"],"related_works":["https://openalex.org/W985285137","https://openalex.org/W2058039393","https://openalex.org/W2002640162","https://openalex.org/W2003163449","https://openalex.org/W2054126426","https://openalex.org/W4254027237","https://openalex.org/W203415388","https://openalex.org/W2174295344","https://openalex.org/W7100308613","https://openalex.org/W1997958387"],"abstract_inverted_index":{"The":[0,53,70],"title":[1],"compound,":[2],"C23H32O4,":[3],"has":[4,46],"a":[5,47,51,81],"3beta":[6],"configuration,":[7],"with":[8,60,77],"the":[9,26,29,63,68,73,86,96,113],"epoxy":[10],"O":[11],"atom":[12],"at":[13],"16alpha,17alpha.":[14],"Rings":[15],"A":[16],"and":[17,55,106],"C":[18],"have":[19],"slightly":[20,39],"distorted":[21,40],"chair":[22],"conformations.":[23],"Because":[24],"of":[25,28,67,72,95],"presence":[27],"C5=C6":[30],"double":[31],"bond,":[32],"ring":[33],"B":[34],"assumes":[35],"an":[36,42],"8beta,9alpha-half-chair":[37],"conformation":[38,48,71],"towards":[41],"8beta-sofa.":[43],"Ring":[44],"D":[45],"close":[49],"to":[50,62,101],"14alpha-envelope.":[52],"acetoxy":[54],"acetyl":[56],"substituents":[57],"are":[58],"twisted":[59],"respect":[61],"average":[64],"molecular":[65],"plane":[66],"steroid.":[69],"molecule":[74],"is":[75],"compared":[76],"that":[78],"given":[79],"by":[80],"quantum":[82],"chemistry":[83],"calculation":[84],"using":[85],"RHF-AM1":[87],"(RHF":[88],"=":[89],"Roothaan":[90],"Hartree-Fock)":[91],"Hamiltonian":[92],"model.":[93],"Cohesion":[94],"crystal":[97],"can":[98],"be":[99],"attributed":[100],"van":[102],"der":[103],"Waals":[104],"interactions":[105],"weak":[107],"intermolecular":[108],"C-H.O":[109],"interactions,":[110],"which":[111],"link":[112],"molecules":[114],"head-to-tail":[115],"along":[116],"[101].":[117]},"counts_by_year":[],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
