Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one

The title compound, C(30)H(48)O(2), contains a fused four-ring triterpenoid system. In the mol­ecule, the two cyclo­hexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclo­hexene ring adopts a half-chair conformation whereas the five membered ring adopt...

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Detalles Bibliográficos
Autores principales: Ge, Jun-Jun, Chen, Pian, Ye, Xiao-Xia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518949/
https://www.ncbi.nlm.nih.gov/pubmed/26279910
http://dx.doi.org/10.1107/S2056989015010592
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author Ge, Jun-Jun
Chen, Pian
Ye, Xiao-Xia
author_facet Ge, Jun-Jun
Chen, Pian
Ye, Xiao-Xia
author_sort Ge, Jun-Jun
collection PubMed
description The title compound, C(30)H(48)O(2), contains a fused four-ring triterpenoid system. In the mol­ecule, the two cyclo­hexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclo­hexene ring adopts a half-chair conformation whereas the five membered ring adopts an envelope conformation. In the crystal, O—H⋯O hydrogen bonds between the hy­droxy and carbonyl groups of adjacent mol­ecules link the mol­ecules into supra­molecular chains propagating along the b-axis direction.
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spelling pubmed-45189492015-08-14 Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one Ge, Jun-Jun Chen, Pian Ye, Xiao-Xia Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(30)H(48)O(2), contains a fused four-ring triterpenoid system. In the mol­ecule, the two cyclo­hexane rings adopt a chair conformation and a twist boat conformation, respectively, the central cyclo­hexene ring adopts a half-chair conformation whereas the five membered ring adopts an envelope conformation. In the crystal, O—H⋯O hydrogen bonds between the hy­droxy and carbonyl groups of adjacent mol­ecules link the mol­ecules into supra­molecular chains propagating along the b-axis direction. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518949/ /pubmed/26279910 http://dx.doi.org/10.1107/S2056989015010592 Text en © Ge et al. 2015 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 Data Reports
Ge, Jun-Jun
Chen, Pian
Ye, Xiao-Xia
Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title_full Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title_fullStr Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title_full_unstemmed Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title_short Crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1H-cyclo­penta­[a]phenanthren-3(2H)-one
title_sort crystal structure of 16-hy­droxy-4,4,10,13,14-penta­methyl-17-(6-methyl­hept-5-en-2-yl)-4,5,6,9,10,11,12,13,14,15,16,17-dodeca­hydro-1h-cyclo­penta­[a]phenanthren-3(2h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518949/
https://www.ncbi.nlm.nih.gov/pubmed/26279910
http://dx.doi.org/10.1107/S2056989015010592
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