Crystal structure of an epoxysterol: 9α,11α-epoxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-diacetate
Open Access
- 6 October 2017
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section E: Crystallographic Communications
- Vol. 73 (11), 1603-1606
- https://doi.org/10.1107/s2056989017013391
Abstract
The title compound, C31H48O6, is a polyoxygenated epoxy steroid obtained by a multi-step synthesis involving oxidation of 7-dehydrocholesterol. It crystallizes in theP212121space group; however, the absolute structure of the molecule in the crystal could not be determined by resonant scattering. The configuration at the C5 and C6 positions is in both cases of the α-type, as is that of the C atoms of the epoxy ring. Molecules in the crystal form chains parallel to thebaxis by hydrogen bonding between O—H donors and carbonyl O-atom acceptors. Some atoms of the alkyl chain are disordered over two orientations, with a refined occupancy ratio of 0.511 (10):0.489 (10).Keywords
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