title: Crystal structure of sepaconitine, a C19-diterpenoid alkaloid from the roots of Aconitum sinomontanum Nakai.
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.
authors.affiliation: Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an 710061, People's Republic of China.
authors.forename: Xin-Wei
authors.initials: XW
authors.lastname: Shi
authors.affiliation: Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an 710061, People's Republic of China.
authors.forename: Qiang-Qiang
authors.initials: QQ
authors.lastname: Lu
authors.affiliation: Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an 710061, People's Republic of China.
authors.forename: Jun-Hui
authors.initials: JH
authors.lastname: Zhou
authors.affiliation: Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an 710061, People's Republic of China.
authors.forename: Xin-Ai
authors.initials: XA
authors.lastname: Cui
keywords: C19-diterpenoid alkaloid; crystal structure; hydrogen bonding