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O. Au-Alvarez, R.C. Peterson, M. A. Iglesias Arteagas, R. Perez Gil, F. Coll Manchado, R. Pomes Hernandez

The crystal structure of (23R, 25S)-3β-bromo-6β-acetoxy-5α-spirostan-23-ol monohydrate

The structure of the title compound, C₂₉H₄₇BrO₆, has been determined by direct methods. The crystal is monoclinic, space group P2₁ with a = 16.404(5) Å, b = 7.135(5) Å, c = 12.536(5) Å, β = 103.32(3)° and Z = 2. The structure presents a hydrogen bond between the H₂O molecule and the 23-hydroxyl group of the spirostan moiety. All ring junctions are trans and the molecule is twisted to only a small extent about the length of the spirostan moiety. The C=O distance of the acetate group is smaller than expected.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 215, 03/2000
Pages: 179

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