11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate

The title compound, C(21)H(28)O(5)·H(2)O, is the hydrate of a steroid derivative and was obtained by degradation of solid prednisolone sodium phosphate. The six C atoms in ring A are nearly co-planar with a mean deviation of 0.015 Å. Rings B and C are both in chair conformations, while ring D has an...

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Detalles Bibliográficos
Autores principales: Guo, Zhanqiang, Tang, Shengan, Duan, Hongquan
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/PMC3120479/
https://www.ncbi.nlm.nih.gov/pubmed/21754697
http://dx.doi.org/10.1107/S1600536811015224
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author Guo, Zhanqiang
Tang, Shengan
Duan, Hongquan
author_facet Guo, Zhanqiang
Tang, Shengan
Duan, Hongquan
author_sort Guo, Zhanqiang
collection PubMed
description The title compound, C(21)H(28)O(5)·H(2)O, is the hydrate of a steroid derivative and was obtained by degradation of solid prednisolone sodium phosphate. The six C atoms in ring A are nearly co-planar with a mean deviation of 0.015 Å. Rings B and C are both in chair conformations, while ring D has an envelope form. In the crystal, inter­molecular O—H⋯O hydrogen-bonding inter­actions occur between the hy­droxy groups, carbonyl O atoms and solvent water mol­ecules, resulting in an overall three-dimensional structure.
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spelling pubmed-31204792011-07-13 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate Guo, Zhanqiang Tang, Shengan Duan, Hongquan Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(21)H(28)O(5)·H(2)O, is the hydrate of a steroid derivative and was obtained by degradation of solid prednisolone sodium phosphate. The six C atoms in ring A are nearly co-planar with a mean deviation of 0.015 Å. Rings B and C are both in chair conformations, while ring D has an envelope form. In the crystal, inter­molecular O—H⋯O hydrogen-bonding inter­actions occur between the hy­droxy groups, carbonyl O atoms and solvent water mol­ecules, resulting in an overall three-dimensional structure. International Union of Crystallography 2011-05-07 /pmc/articles/PMC3120479/ /pubmed/21754697 http://dx.doi.org/10.1107/S1600536811015224 Text en © Guo 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
Guo, Zhanqiang
Tang, Shengan
Duan, Hongquan
11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title_full 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title_fullStr 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title_full_unstemmed 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title_short 11,20-Dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
title_sort 11,20-dihy­droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120479/
https://www.ncbi.nlm.nih.gov/pubmed/21754697
http://dx.doi.org/10.1107/S1600536811015224
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