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. 2010 Oct 2;66(Pt 11):o2704.
doi: 10.1107/S1600536810038031.

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

Chao-Jun He  1 , Min Wang, Hua Sun, Zeng-Bing Liu, Yu-Wan Fu
Affiliations

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

Chao-Jun He et al. Acta Crystallogr Sect E Struct Rep Online. .

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.

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Figures

Fig. 1.
Fig. 1.
Perspective view of the title compound (noncoordinated water molecule was omitted for clarity)
Fig. 2.
Fig. 2.
View of the packing of the title compound
See this image and copyright information in PMC

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