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(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate

In the crystal structure of the title compound, C(43)H(46)NO(13)·0.5H(2)O, the mol­ecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol­ecule contains eight alicyclic and heterocyclic rings. The cyclo­hexane...

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Detalles Bibliográficos
Autores principales: Chen, Feng-Zheng, Xiang, Qing-Xiang, Zhang, Yuan-Qin, Xiong, Jun-Ru
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969740/
https://www.ncbi.nlm.nih.gov/pubmed/21583273
http://dx.doi.org/10.1107/S1600536809018315
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author Chen, Feng-Zheng
Xiang, Qing-Xiang
Zhang, Yuan-Qin
Xiong, Jun-Ru
author_facet Chen, Feng-Zheng
Xiang, Qing-Xiang
Zhang, Yuan-Qin
Xiong, Jun-Ru
author_sort Chen, Feng-Zheng
collection PubMed
description In the crystal structure of the title compound, C(43)H(46)NO(13)·0.5H(2)O, the mol­ecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol­ecule contains eight alicyclic and heterocyclic rings. The cyclo­hexane rings adopt chair conformations, the other three six-membered carbocyclic rings form a bicyclo­[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring has a chair conformation and both of the five-membered rings have envelope conformations. The solvent water mol­ecule links with the organic mol­ecule via classic O—H⋯O and weak C—H⋯O hydrogen bonding in the crystal structure.
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spelling pubmed-29697402010-12-30 (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate Chen, Feng-Zheng Xiang, Qing-Xiang Zhang, Yuan-Qin Xiong, Jun-Ru Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(43)H(46)NO(13)·0.5H(2)O, the mol­ecule assumes a U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The mol­ecule contains eight alicyclic and heterocyclic rings. The cyclo­hexane rings adopt chair conformations, the other three six-membered carbocyclic rings form a bicyclo­[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring has a chair conformation and both of the five-membered rings have envelope conformations. The solvent water mol­ecule links with the organic mol­ecule via classic O—H⋯O and weak C—H⋯O hydrogen bonding in the crystal structure. International Union of Crystallography 2009-05-29 /pmc/articles/PMC2969740/ /pubmed/21583273 http://dx.doi.org/10.1107/S1600536809018315 Text en © Chen et al. 2009 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
Chen, Feng-Zheng
Xiang, Qing-Xiang
Zhang, Yuan-Qin
Xiong, Jun-Ru
(1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title_full (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title_fullStr (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title_full_unstemmed (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title_short (1β,2α,3α,7α,11α,13β)-1,3,7,11-Tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
title_sort (1β,2α,3α,7α,11α,13β)-1,3,7,11-tetra­acet­oxy-2,13-bis­(benz­yloxy)-21-methyl-19,21-secohetisan-19-al hemi­hydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969740/
https://www.ncbi.nlm.nih.gov/pubmed/21583273
http://dx.doi.org/10.1107/S1600536809018315
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