Crystal structure of hydrocortisone 17-butyrate

Crystal structure of hydrocortisone 17-butyrate

In the title compound, C25H36O6, the two central cyclohexane rings exhibit a chair conformation. The terminal cyclohexene and cyclopentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substituent as the flap), respectively. The methyl group of the butyrate c...

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Bibliographic Details
Main Authors: Yu Zhu, Wei Shen, Hai-li Wang
Format: Article
Language:English
Published: International Union of Crystallography 2014-12-01
Series:Acta Crystallographica Section E
Subjects:
crystal structure
hydrocortisone derivative
hydrogen bonds
pharmacological activity
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814023903
Description
Summary:In the title compound, C25H36O6, the two central cyclohexane rings exhibit a chair conformation. The terminal cyclohexene and cyclopentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substituent as the flap), respectively. The methyl group of the butyrate chain is disordered over two orientations, with a refined occupancy ratio of 0.742 (6):0.258 (6). Intramolecular O—H...O and C—H...O hydrogen bonds are observed. In the crystal, molecules are linked by O—H...O hydrogen bonds into chains running parallel to the a axis.
ISSN:1600-5368

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