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11,20-Dihy-droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate.

ABSTRACT: 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, inter-molecular O-H?O hydrogen-bonding inter-actions occur between the hy-droxy groups, carbonyl O atoms and solvent water mol-ecules, resulting in an overall three-dimensional structure.

SUBMITTER: Guo Z 

PROVIDER: S-EPMC3120479 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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11,20-Dihy-droxy-3-oxopregna-1,4-dien-21-oic acid monohydrate.

Guo Zhanqiang Z   Tang Shengan S   Duan Hongquan H  

Acta crystallographica. Section E, Structure reports online 20110507 Pt 6

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, inter-molecular O-H⋯O hydrogen-bonding inter-actions occur between the hy-droxy groups, carbonyl O atoms and solvent water mol-ecules, resulting in an overall three-dim  ...[more]

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