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Crystal structure of hydro-cortisone 17-butyrate.

ABSTRACT: In the title compound, C25H36O6, the two central cyclo-hexane rings exhibit a chair conformation. The terminal cyclo-hexene and cyclo-pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit-uent 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). Intra-molecular O-H?O and C-H?O hydrogen bonds are observed. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds into chains running parallel to the a axis.

SUBMITTER: Zhu Y

PROVIDER: S-EPMC4257404 | biostudies-literature | 2014 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of hydro-cortisone 17-butyrate.

Zhu Yu Y Shen Wei W Wang Hai-Li HL

Acta crystallographica. Section E, Structure reports online 20141105 Pt 12

In the title compound, C25H36O6, the two central cyclo-hexane rings exhibit a chair conformation. The terminal cyclo-hexene and cyclo-pentane rings are in half-chair and envelope conformations (with the C atom bearing the methyl substit-uent 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). Intra-molecular O-H⋯O and C-H⋯O hydrogen bonds are observed. In the crystal, mol-ecules are linked ...[more]

PMID: 25553020

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