{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["73(Pt 11)"],"submitter":["Piccialli V"],"pubmed_abstract":["The title compound, C<sub>31</sub>H<sub>48</sub>O<sub>6</sub>, is a polyoxygenated ep-oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de-hydro-cholesterol. It crystallizes in the <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> 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. Mol-ecules in the crystal form chains parallel to the <i>b</i> 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)."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["1603-1606"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC5683473"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate."],"pmcid":["PMC5683473"],"pubmed_authors":["Tuzi A","Piccialli V","Centore R"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of an ep-oxy-sterol: 9α,11α-ep-oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di-acetate.","description":"The title compound, C<sub>31</sub>H<sub>48</sub>O<sub>6</sub>, is a polyoxygenated ep-oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de-hydro-cholesterol. It crystallizes in the <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub> 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. Mol-ecules in the crystal form chains parallel to the <i>b</i> 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).","dates":{"release":"2017-01-01T00:00:00Z","publication":"2017 Nov","modification":"2025-04-18T19:02:52.983Z","creation":"2019-03-27T03:01:41Z"},"accession":"S-EPMC5683473","cross_references":{"pubmed":["29152333"],"doi":["10.1107/S2056989017013391"]}}