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

Abstract

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.