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Crystal structure of an ep-oxy-sterol: 9?,11?-ep-oxy-5?-cholest-7-ene-3?,5,6?-triol 3,6-di-acetate.

ABSTRACT: The title compound, C31H48O6, is a polyoxygenated ep-oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de-hydro-cholesterol. 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 ?-type, as is that of the C atoms of the ep-oxy ring. Mol-ecules 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).

SUBMITTER: Piccialli V

PROVIDER: S-EPMC5683473 | biostudies-other | 2017 Nov

REPOSITORIES: biostudies-other

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Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.

Piccialli Vincenzo V Tuzi Angela A Centore Roberto R

Acta crystallographica. Section E, Crystallographic communications 20171006 Pt 11

The title compound, C31H48O6, is a polyoxygenated ep-oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de-hydro-cholesterol. 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 ep-oxy ring. Mo ...[more]

PMID: 29152333

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