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3β-Acetoxy-6-hydroxyiminocholestane
Two independent molecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100065/ https://www.ncbi.nlm.nih.gov/pubmed/21754066 http://dx.doi.org/10.1107/S1600536811007306 |
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author | Ketuly, Kamal Aziz Hadi, A. Hamid A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Ketuly, Kamal Aziz Hadi, A. Hamid A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Ketuly, Kamal Aziz |
collection | PubMed |
description | Two independent molecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate}. The major differences between the molecules relate to the relative orientations of the terminal acetyl [C—C—O—C torsion angles = −158.8 (3) and −81.7 (3)°] and alkyl groups [C—C—C—C = 168.9 (3) and 65.8 (4)°]. In the crystal, the independent molecules associate via pairs of O—H⋯N hydrogen bonds, forming dimeric aggregates. Supramolecular layers in the ab plane are mediated by C—H⋯O interactions. |
format | Text |
id | pubmed-3100065 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31000652011-07-13 3β-Acetoxy-6-hydroxyiminocholestane Ketuly, Kamal Aziz Hadi, A. Hamid A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent molecules comprise the asymmetric unit of the title cholestane derivative, C(29)H(49)NO(3) {systematic name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate}. The major differences between the molecules relate to the relative orientations of the terminal acetyl [C—C—O—C torsion angles = −158.8 (3) and −81.7 (3)°] and alkyl groups [C—C—C—C = 168.9 (3) and 65.8 (4)°]. In the crystal, the independent molecules associate via pairs of O—H⋯N hydrogen bonds, forming dimeric aggregates. Supramolecular layers in the ab plane are mediated by C—H⋯O interactions. International Union of Crystallography 2011-03-05 /pmc/articles/PMC3100065/ /pubmed/21754066 http://dx.doi.org/10.1107/S1600536811007306 Text en © Ketuly et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Ketuly, Kamal Aziz Hadi, A. Hamid A. Ng, Seik Weng Tiekink, Edward R. T. 3β-Acetoxy-6-hydroxyiminocholestane |
title | 3β-Acetoxy-6-hydroxyiminocholestane |
title_full | 3β-Acetoxy-6-hydroxyiminocholestane |
title_fullStr | 3β-Acetoxy-6-hydroxyiminocholestane |
title_full_unstemmed | 3β-Acetoxy-6-hydroxyiminocholestane |
title_short | 3β-Acetoxy-6-hydroxyiminocholestane |
title_sort | 3β-acetoxy-6-hydroxyiminocholestane |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100065/ https://www.ncbi.nlm.nih.gov/pubmed/21754066 http://dx.doi.org/10.1107/S1600536811007306 |
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