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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:
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
Descripción
Sumario: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.