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Acta Crystallogr Sect E Struct Rep Online ; 66(Pt 11): o2704, 2010 Oct 02.
Article in English | MEDLINE | ID: mdl-21588919

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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