12β,14-Dihy-droxy-3-oxo-5β,20(22)-cardenolide monohydrate

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 2;66(Pt 11):o2704. doi: 10.1107/S1600536810038031.

Abstract

The title compound, digoxigenone, C(23)H(30)O(5)·H(2)O, was biotransformed from digoxigenin. In the crystal, inter-molecular O-H⋯O hydrogen bonds contribute to the formation of a three-dimensional supra-molecular structure. The title compound has three fused six-membered rings (A,B,C) and two non-fused five-membered rings (D,E). As in other structures, compound nucleus has a cis-trans-cis conformation for the A-B,B-C,C-D ring junctions with rings A, B and C exhibiting chair conformations.