Crystal structure of hydro-cortisone 17-butyrate

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 5;70(Pt 12):o1239-40. doi: 10.1107/S1600536814023903. eCollection 2014 Dec 1.

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.

Keywords: crystal structure; hydrogen bonds; hydro­cortisone derivative; pharmacological activity.