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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969740 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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