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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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). |
format | Online Article Text |
id | pubmed-5683473 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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