Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate

The title compound, C(22)H(29)F(3)O(5)S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(tri­fluoro­methylsulfon­yloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. Rings A and C adopt a chair conforma...

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Detalles Bibliográficos
Autores principales: Zhou, Shengjun, Huang, Huaqi, Zhang, Ting, Wang, Dangfeng, Huang, Rongbin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459318/
https://www.ncbi.nlm.nih.gov/pubmed/26090191
http://dx.doi.org/10.1107/S2056989015009123
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author Zhou, Shengjun
Huang, Huaqi
Zhang, Ting
Wang, Dangfeng
Huang, Rongbin
author_facet Zhou, Shengjun
Huang, Huaqi
Zhang, Ting
Wang, Dangfeng
Huang, Rongbin
author_sort Zhou, Shengjun
collection PubMed
description The title compound, C(22)H(29)F(3)O(5)S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(tri­fluoro­methylsulfon­yloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. Rings A and C adopt a chair conformation, while rings B and D adopt half-chair and envelope (with the fused CH atom as the flap) conformations, respectively. In the crystal, weak inter­molecular C—H⋯O inter­actions link the mol­ecules into layers parallel to the ab plane.
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spelling pubmed-44593182015-06-18 Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate Zhou, Shengjun Huang, Huaqi Zhang, Ting Wang, Dangfeng Huang, Rongbin Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(22)H(29)F(3)O(5)S [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(tri­fluoro­methylsulfon­yloxy)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], contains a fused four-ring steroidal system. Rings A and C adopt a chair conformation, while rings B and D adopt half-chair and envelope (with the fused CH atom as the flap) conformations, respectively. In the crystal, weak inter­molecular C—H⋯O inter­actions link the mol­ecules into layers parallel to the ab plane. International Union of Crystallography 2015-05-16 /pmc/articles/PMC4459318/ /pubmed/26090191 http://dx.doi.org/10.1107/S2056989015009123 Text en © Zhou et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Zhou, Shengjun
Huang, Huaqi
Zhang, Ting
Wang, Dangfeng
Huang, Rongbin
Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title_full Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title_fullStr Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title_full_unstemmed Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title_short Crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
title_sort crystal structure of 3β-acet­oxy­androsta-5,16-dien-17-yl tri­fluoro­methane­sulfon­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459318/
https://www.ncbi.nlm.nih.gov/pubmed/26090191
http://dx.doi.org/10.1107/S2056989015009123
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AT wangdangfeng crystalstructureof3bacetoxyandrosta516dien17yltrifluoromethanesulfonate
AT huangrongbin crystalstructureof3bacetoxyandrosta516dien17yltrifluoromethanesulfonate

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