Liu Wei, Gou Xiong-Jun, Song Qin, Chen Feng-Zheng
Faculty of Biotechnology Industry, Chengdu University, Chengdu 610016, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1435. doi: 10.1107/S1600536811015170. Epub 2011 May 20.
The title compound, C(24)H(39)NO(6) [systematic name: (1α,6α,14α,16β)-N-ethyl-6,16-dimeth-oxy-4-meth-oxy-methylaconitane-1,8,14-triol], is a C(19)-diterpenoid alkaloid from the roots of Aconitum flavum Hand. The mol-ecule has an aconitane carbon skeleton with four six-membered rings and two five-membered rings. Both five-membered rings adopt envelope conformations. Two six-membered rings adopt chair conformations, whereas the other two adopt boat conformations. Intra-molecular O-H⋯O and O-H⋯N and inter-molecular O-H⋯O hydrogen bonds are present in the structure. In the crystal, one methyl group is disordered over two sites with an occupancy ratio of 0.70 (3):0.30 (3).
标题化合物C(24)H(39)NO(6) [系统名称：(1α,6α,14α,16β)-N-乙基-6,16-二甲氧基-4-甲氧基甲基乌头烷-1,8,14-三醇]，是一种从黄花乌头根中提取的C(19)二萜生物碱。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。两个五元环均采用信封式构象。两个六元环采用椅式构象，而另外两个采用船式构象。结构中存在分子内O-H⋯O和O-H⋯N以及分子间O-H⋯O氢键。在晶体中，一个甲基在两个位置上无序，占有率为0.70 (3):0.30 (3)。
