Lei Jun, Luo Ya-Jun, Bian Qing-Quan, Wang Xiong-Qing
Institute of Chemistry and Chemical Engineering, Mianyang Normal University, Mianyang 621000, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3145-6. doi: 10.1107/S1600536811044242. Epub 2011 Nov 2.
THE TITLE COMPOUND [SYSTEMATIC NAME: (1S,4S,5R,7S,8S,9R,10R,11S,13S,14S,16S,17R)-N-methyl-8,14-dihy-droxy-1,16-tri-meth-oxy-4-(meth-oxy-methyl-ene)aconitane], C(24)H(39)NO(5), was isolated from the roots of Aconitum carmichaelii Debx., which is known as 'Chuanwu' in Chinese traditional herbal medicine. The mol-ecule has an aconitane carbon skeleton with four six-membered rings and two five-membered rings, including a six-membered N-containing heterocyclic ring. Both five-membered rings adopt envelope conformations. The four six-membered adopt chair conformations. Two intra-molecular O-H⋯O hydrogen bonds occur.
标题化合物[系统名称:(1S,4S,5R,7S,8S,9R,10R,11S,13S,14S,16S,17R)-N-甲基-8,14-二羟基-1,16-三甲氧基-4-(甲氧基亚甲基)乌头烷],C(24)H(39)NO(5),从乌头的根中分离得到,在传统中药中被称为“川乌”。该分子具有一个乌头烷碳骨架,包含四个六元环和两个五元环,其中包括一个含氮六元杂环。两个五元环均采用信封式构象。四个六元环采用椅式构象。存在两个分子内O-H⋯O氢键。