(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al

(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), C41H43NO12, is a hetisine-type C20-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 wi...

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Main Authors: Shu-Hua Li, Tie-Ying Zi, Xiong-Qing Wang
Format: Article
Language:English
Published: International Union of Crystallography 2008-08-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536808019223
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spelling doaj-ee54bda23a86440dbb8d5f1a16c90fa22020-11-24T20:47:10ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-08-01648o1394o139410.1107/S1600536808019223(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-alShu-Hua LiTie-Ying ZiXiong-Qing WangThe title compound (delgradine), C41H43NO12, is a hetisine-type C20-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.http://scripts.iucr.org/cgi-bin/paper?S1600536808019223
collection DOAJ
language English
format Article
sources DOAJ
author Shu-Hua Li
Tie-Ying Zi
Xiong-Qing Wang
spellingShingle Shu-Hua Li
Tie-Ying Zi
Xiong-Qing Wang
(1α,2β,3α,7α,11α,13β)-1,3,11-Triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-N,19-secohetisan-19-al
Acta Crystallographica Section E
author_facet Shu-Hua Li
Tie-Ying Zi
Xiong-Qing Wang
author_sort Shu-Hua Li
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_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_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_sort (1α,2β,3α,7α,11α,13β)-1,3,11-triacetoxy-2,13-bis(benzyloxy)-7-hydroxy-21-methyl-n,19-secohetisan-19-al
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2008-08-01
description The title compound (delgradine), C41H43NO12, is a hetisine-type C20-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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536808019223
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AT tieyingzi 194529463945794511945139461311triacetoxy213bisbenzyloxy7hydroxy21methyln19secohetisan19al
AT xiongqingwang 194529463945794511945139461311triacetoxy213bisbenzyloxy7hydroxy21methyln19secohetisan19al
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