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

Acta Crystallogr E Crystallogr Commun. 2015 Jul 8;71(Pt 8):o550-1. doi: 10.1107/S205698901501258X. eCollection 2015 Aug 1.

Abstract

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 via O-H⋯O hydrogen bonds, forming a three-dimensional framework.

Keywords: C19-diterpenoid alkaloid; crystal structure; hydrogen bonding.