溴酸乌头原碱的 X 射线结构研究。

X-ray structure study of ranaconitine hydrobromide.

机构信息

Xi'an Botanical Garden, Institute of Botany of Shaanxi Province, Xi'an, Shaanxi 710061, P.R. China.

出版信息

Nat Prod Res. 2012;26(15):1451-3. doi: 10.1080/14786419.2011.603319. Epub 2011 Oct 11.

DOI:10.1080/14786419.2011.603319

PMID:21988549

Abstract

Ranaconitine is an important diterpenoid alkaloid from Aconitum sinomontanum Nakai. The absolute configuration of natural ranaconitine was determined through an X-ray structure analysis of hydrated ranaconitine hydrobromide. The crystal presents a monoclinic system, space group P2(1) with Z = 2, unit cell dimensions: a = 10.6604(12) Å, b = 12.3674(14) Å, c = 12.2938(13) Å and β = 91.056(2)°. The chirality of the asymmetric carbon atoms was as follows: C10(S), C13(S), C14(S), C15(S), C16(S), C17(R), C23(S), C25(R), C26(S), C27(S), C28(S) and C30(S). Moreover, a complex network of hydrogen bonds occurred between neighbouring molecules.

摘要

瑞乌宁碱是从北乌头中提取的一种重要的二萜类生物碱。通过水合瑞乌宁碱氢溴酸盐的 X 射线结构分析确定了天然瑞乌宁碱的绝对构型。该晶体呈单斜晶系，空间群为 P2(1)，Z = 2，晶胞参数：a = 10.6604(12)Å，b = 12.3674(14)Å，c = 12.2938(13)Å，β = 91.056(2)°。不对称碳原子的手性如下：C10(S)、C13(S)、C14(S)、C15(S)、C16(S)、C17(R)、C23(S)、C25(R)、C26(S)、C27(S)、C28(S)和 C30(S)。此外，相邻分子之间还存在复杂的氢键网络。