Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene

In the title compound, C(26)H(33)NO(2) [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], the steroid A, B, C and D rings adopt chair, half-chair, chair and envelope conformations, respecti...

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Detalles Bibliográficos
Autores principales: Zhou, Shengjun, Huang, Huaqi, 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/PMC4350699/
https://www.ncbi.nlm.nih.gov/pubmed/25844219
http://dx.doi.org/10.1107/S2056989015001966
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author Zhou, Shengjun
Huang, Huaqi
Huang, Rongbin
author_facet Zhou, Shengjun
Huang, Huaqi
Huang, Rongbin
author_sort Zhou, Shengjun
collection PubMed
description In the title compound, C(26)H(33)NO(2) [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], the steroid A, B, C and D rings adopt chair, half-chair, chair and envelope conformations, respectively. The flap atom of the envelope is the methine C atom fused with the C ring. In the crystal, adjacent mol­ecules, generated by a 2(1) screw axis, are linked by weak C—H⋯O hydrogen bonds, forming a C(16) helical chain running along the c-axis direction.
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spelling pubmed-43506992015-04-03 Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene Zhou, Shengjun Huang, Huaqi Huang, Rongbin Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(26)H(33)NO(2) [systematic name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3-yl acetate], the steroid A, B, C and D rings adopt chair, half-chair, chair and envelope conformations, respectively. The flap atom of the envelope is the methine C atom fused with the C ring. In the crystal, adjacent mol­ecules, generated by a 2(1) screw axis, are linked by weak C—H⋯O hydrogen bonds, forming a C(16) helical chain running along the c-axis direction. International Union of Crystallography 2015-02-04 /pmc/articles/PMC4350699/ /pubmed/25844219 http://dx.doi.org/10.1107/S2056989015001966 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
Huang, Rongbin
Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title_full Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title_fullStr Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title_full_unstemmed Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title_short Crystal structure of (3S)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
title_sort crystal structure of (3s)-3-acet­oxy-17-(pyridin-3-yl)androsta-5,16-diene
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350699/
https://www.ncbi.nlm.nih.gov/pubmed/25844219
http://dx.doi.org/10.1107/S2056989015001966
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