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Crystal structure of sepaconitine, a C19-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai.

ABSTRACT: The title compound [systematic name: [(1?,14?,16?)-20-ethyl-8,9,10-trihy-droxy-1,14,16-tri-meth-oxy-aconitan-4-yl 2-amino-benzoate], C30H42N2O8, a natural C19-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. Intra-molecular N-H?O hydrogen bonds are observed between the amino and carbonyl groups. The mol-ecules are linked together via O-H?O hydrogen bonds, forming a three-dimensional framework.

SUBMITTER: Shi XW

PROVIDER: S-EPMC4571391 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of sepaconitine, a C19-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai.

Shi Xin-Wei XW Lu Qiang-Qiang QQ Zhou Jun-Hui JH Cui Xin-Ai XA

Acta crystallographica. Section E, Crystallographic communications 20150708 Pt 8

The title compound [systematic name: [(1α,14α,16β)-20-ethyl-8,9,10-trihy-droxy-1,14,16-tri-meth-oxy-aconitan-4-yl 2-amino-benzoate], C30H42N2O8, a natural C19-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. Intra-molecular N-H⋯O hydrogen bonds are observed between the amino and carbonyl groups. The mol-ecules are linked together ...[more]

PMID: 26396791

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