Date Published: April 01, 2011
Publisher: International Union of Crystallography
Author(s): Yan Mu, Lin Li, Hai-Liu Wei, Tong-Chun Kuang, Song-Qing Hu.
The title compound, C31H44N3O10+·Cl−·CH4O, is the methanol solvate of 8-benzoyloxy-,9,11,11a-tetrahydroxy-6,10,13-trimethoxy-3-methoxymethyl-1-methyltetradecahydro-1H-3,6a,12-(epiethane-1,1,2-triyl)-7,9-methanonaphtho[2,3-b]azocin-1-ium chloride, the amine-protonated hydrochloride of 14-benzoylmesaconine hydrochloride. The cation has an aconitine carbon skeleton with four six-membered rings of which three display chair conformations and one a boat conformation, and two five-membered rings with envelope conformations. In the crystal, the components are connected into an infinite chain by inter- and intramolecular O—H⋯O, N—H⋯O and O—H⋯Cl hydrogen bonds.
For general background to diterpenoid alkaloids, see: Ameri (1998 ▶); Desai et al. (1998 ▶); Suzuki et al. (1994 ▶). For the chemical structure of the title compound established from MS data, see: Zhang et al. (2005 ▶); Wang et al. (2009 ▶); Yue et al. (2009 ▶). For background to the strong toxicity of Aconitum alkaloids, see: Zhang et al. (2002 ▶). For ring numbering and ring conformations of the title compound, see: He et al. (2008 ▶).