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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-...

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Autores principales: Ketuly, Kamal Aziz, Hadi, A. Hamid A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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