21-Hy­droxy­pregna-1,4-diene-3,20-dione

The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010 (3) Å from the least-squares plane, while the trans-fused rings B and C adopt chair conform...

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Detalles Bibliográficos
Autores principales: Yousuf, S., Bibi, M., Choudhary, M. I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213563/
https://www.ncbi.nlm.nih.gov/pubmed/22091140
http://dx.doi.org/10.1107/S1600536811028674
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author Yousuf, S.
Bibi, M.
Choudhary, M. I.
author_facet Yousuf, S.
Bibi, M.
Choudhary, M. I.
author_sort Yousuf, S.
collection PubMed
description The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010 (3) Å from the least-squares plane, while the trans-fused rings B and C adopt chair conformations. The five-membered ring D is in an envelope conformation. The orientation of the side chain is stabilized by an intramolecular O—H⋯O hydrogen bond. In the crystal, adjecent mol­ecules are linked by C—H⋯O hydrogen bonds into extended zigzag chains along the a axis.
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spelling pubmed-32135632011-11-16 21-Hy­droxy­pregna-1,4-diene-3,20-dione Yousuf, S. Bibi, M. Choudhary, M. I. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(28)O(3), is a fungal transformed metabolite of decoxycorticosterone acetate, consisting of four fused rings A, B, C and D. Ring A is nearly planar, with a maximum deviation of 0.010 (3) Å from the least-squares plane, while the trans-fused rings B and C adopt chair conformations. The five-membered ring D is in an envelope conformation. The orientation of the side chain is stabilized by an intramolecular O—H⋯O hydrogen bond. In the crystal, adjecent mol­ecules are linked by C—H⋯O hydrogen bonds into extended zigzag chains along the a axis. International Union of Crystallography 2011-07-23 /pmc/articles/PMC3213563/ /pubmed/22091140 http://dx.doi.org/10.1107/S1600536811028674 Text en © Yousuf et al. 2011 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 Organic Papers
Yousuf, S.
Bibi, M.
Choudhary, M. I.
21-Hy­droxy­pregna-1,4-diene-3,20-dione
title 21-Hy­droxy­pregna-1,4-diene-3,20-dione
title_full 21-Hy­droxy­pregna-1,4-diene-3,20-dione
title_fullStr 21-Hy­droxy­pregna-1,4-diene-3,20-dione
title_full_unstemmed 21-Hy­droxy­pregna-1,4-diene-3,20-dione
title_short 21-Hy­droxy­pregna-1,4-diene-3,20-dione
title_sort 21-hy­droxy­pregna-1,4-diene-3,20-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213563/
https://www.ncbi.nlm.nih.gov/pubmed/22091140
http://dx.doi.org/10.1107/S1600536811028674
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