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Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate

The title compound, C(31)H(48)O(6), is a polyoxygenated ep­oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de­hydro­cholesterol. It crystallizes in the P2(1)2(1)2(1) space group; however, the absolute structure of the molecule in the crystal could not be determined by resonan...

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Detalles Bibliográficos
Autores principales: Piccialli, Vincenzo, Tuzi, Angela, Centore, Roberto
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683473/
https://www.ncbi.nlm.nih.gov/pubmed/29152333
http://dx.doi.org/10.1107/S2056989017013391
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author Piccialli, Vincenzo
Tuzi, Angela
Centore, Roberto
author_facet Piccialli, Vincenzo
Tuzi, Angela
Centore, Roberto
author_sort Piccialli, Vincenzo
collection PubMed
description The title compound, C(31)H(48)O(6), is a polyoxygenated ep­oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de­hydro­cholesterol. It crystallizes in the P2(1)2(1)2(1) 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).
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spelling pubmed-56834732017-11-17 Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate Piccialli, Vincenzo Tuzi, Angela Centore, Roberto Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(31)H(48)O(6), is a polyoxygenated ep­oxy steroid obtained by a multi-step synthesis involving oxidation of 7-de­hydro­cholesterol. It crystallizes in the P2(1)2(1)2(1) 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). International Union of Crystallography 2017-10-06 /pmc/articles/PMC5683473/ /pubmed/29152333 http://dx.doi.org/10.1107/S2056989017013391 Text en © Piccialli et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Piccialli, Vincenzo
Tuzi, Angela
Centore, Roberto
Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title_full Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title_fullStr Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title_full_unstemmed Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title_short Crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
title_sort crystal structure of an ep­oxy­sterol: 9α,11α-ep­oxy-5α-cholest-7-ene-3β,5,6α-triol 3,6-di­acetate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5683473/
https://www.ncbi.nlm.nih.gov/pubmed/29152333
http://dx.doi.org/10.1107/S2056989017013391
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