Crystal structure of an ep­oxy­sterol: 9α11α-ep­oxy-5α-cholest-7-ene-3β56α-triol 36-di­acetate

摘要

The title compound, C31H48O6, is a polyoxygenated ep­oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de­hydro­cholesterol. It crystallizes in the P212121 space 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 the b axis 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).