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

Acta Crystallogr E Crystallogr Commun

Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an 710061, People's Republic of China.

Published: August 2015

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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571391PMC
http://dx.doi.org/10.1107/S205698901501258XDOI Listing

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