Abstract
The title compound, C21H28O5·H2O, 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.
Highlights
B and C are both in chair conformations, while ring D has an envelope form
For general background to substances related to prednisolone sodium phosphate, see: Dekker (1980); Stroud et al (1980); Mason (1938); Edmonds et al (2006); Gazdag et al (1998)
The authors are very grateful to the Central Laboratory of Nankai University for the X-ray data collection
Summary
School of Pharmaceutical Sciences, Research Center of Basic Medical Sciences, Tianjin Medical University, Tianjin 300070, People’s Republic of China R factor = 0.035; wR factor = 0.085; data-to-parameter ratio = 8.3. The title compound, C21H28O5H2O, 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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