Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai

The title compound [systematic name: [(1α,14α,16β)-20-ethyl-8,9,10-trihy­droxy-1,14,16-tri­meth­oxy­aconitan-4-yl 2-amino­benzoate], C(30)H(42)N(2)O(8), a natural C(19)-diterpenoid alkaloid, possesses an aconitane carbon skeleton with four six-membered rings and two five-membered rings. The fused ri...

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Detalles Bibliográficos
Autores principales: Shi, Xin-Wei, Lu, Qiang-Qiang, Zhou, Jun-Hui, Cui, Xin-Ai
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/PMC4571391/
https://www.ncbi.nlm.nih.gov/pubmed/26396791
http://dx.doi.org/10.1107/S205698901501258X
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author Shi, Xin-Wei
Lu, Qiang-Qiang
Zhou, Jun-Hui
Cui, Xin-Ai
author_facet Shi, Xin-Wei
Lu, Qiang-Qiang
Zhou, Jun-Hui
Cui, Xin-Ai
author_sort Shi, Xin-Wei
collection PubMed
description The title compound [systematic name: [(1α,14α,16β)-20-ethyl-8,9,10-trihy­droxy-1,14,16-tri­meth­oxy­aconitan-4-yl 2-amino­benzoate], C(30)H(42)N(2)O(8), a natural C(19)-diterpenoid alkaloid, possesses an aconitane carbon skeleton with four six-membered rings and two five-membered rings. The fused ring system contains two chair, one boat, one twist-boat and two envelope conformations. Intra­molecular N—H⋯O hydrogen bonds are observed between the amino and carbonyl groups. The mol­ecules are linked together via O—H⋯O hydrogen bonds, forming a three-dimensional framework.
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spelling pubmed-45713912015-09-22 Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai Shi, Xin-Wei Lu, Qiang-Qiang Zhou, Jun-Hui Cui, Xin-Ai Acta Crystallogr E Crystallogr Commun Data Reports The title compound [systematic name: [(1α,14α,16β)-20-ethyl-8,9,10-trihy­droxy-1,14,16-tri­meth­oxy­aconitan-4-yl 2-amino­benzoate], C(30)H(42)N(2)O(8), a natural C(19)-diterpenoid alkaloid, possesses an aconitane carbon skeleton with four six-membered rings and two five-membered rings. The fused ring system contains two chair, one boat, one twist-boat and two envelope conformations. Intra­molecular N—H⋯O hydrogen bonds are observed between the amino and carbonyl groups. The mol­ecules are linked together via O—H⋯O hydrogen bonds, forming a three-dimensional framework. International Union of Crystallography 2015-07-08 /pmc/articles/PMC4571391/ /pubmed/26396791 http://dx.doi.org/10.1107/S205698901501258X Text en © Shi 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
Shi, Xin-Wei
Lu, Qiang-Qiang
Zhou, Jun-Hui
Cui, Xin-Ai
Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title_full Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title_fullStr Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title_full_unstemmed Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title_short Crystal structure of sepaconitine, a C(19)-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai
title_sort crystal structure of sepaconitine, a c(19)-diterpenoid alkaloid from the roots of aconitum sinomontanum nakai
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571391/
https://www.ncbi.nlm.nih.gov/pubmed/26396791
http://dx.doi.org/10.1107/S205698901501258X
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