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(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al
The title compound (delgradine), C(41)H(43)NO(12), is a hetisine-type C(20)-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the molecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially over...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962025/ https://www.ncbi.nlm.nih.gov/pubmed/21203114 http://dx.doi.org/10.1107/S1600536808019223 |
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author | Li, Shu-Hua Zi, Tie-Ying Wang, Xiong-Qing |
author_facet | Li, Shu-Hua Zi, Tie-Ying Wang, Xiong-Qing |
author_sort | Li, Shu-Hua |
collection | PubMed |
description | The title compound (delgradine), C(41)H(43)NO(12), is a hetisine-type C(20)-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the molecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The molecule contains eight alicyclic and heterocyclic rings. Cyclohexane rings A and B adopt similar chair conformations; the six-membered rings C, D and E form a bicyclo[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring F has a screw-boat conformation and both of the five-membered rings G and H have envelope conformations. The crystal structure contains intermolecular O—H⋯O hydrogen bonding. |
format | Text |
id | pubmed-2962025 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29620252010-12-30 (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al Li, Shu-Hua Zi, Tie-Ying Wang, Xiong-Qing Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound (delgradine), C(41)H(43)NO(12), is a hetisine-type C(20)-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the molecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The molecule contains eight alicyclic and heterocyclic rings. Cyclohexane rings A and B adopt similar chair conformations; the six-membered rings C, D and E form a bicyclo[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring F has a screw-boat conformation and both of the five-membered rings G and H have envelope conformations. The crystal structure contains intermolecular O—H⋯O hydrogen bonding. International Union of Crystallography 2008-07-05 /pmc/articles/PMC2962025/ /pubmed/21203114 http://dx.doi.org/10.1107/S1600536808019223 Text en © Li et al. 2008 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 Li, Shu-Hua Zi, Tie-Ying Wang, Xiong-Qing (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title | (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title_full | (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title_fullStr | (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title_full_unstemmed | (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title_short | (1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al |
title_sort | (1α,2β,3α,7α,11α,13β)-1,3,11-triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-n,19-secohetisan-19-al |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962025/ https://www.ncbi.nlm.nih.gov/pubmed/21203114 http://dx.doi.org/10.1107/S1600536808019223 |
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