来自亚马逊传统药用植物苏库布断肠草的羽扇豆烷型三萜C
Plumeridoid C from the Amazonian traditional medicinal plant Himatanthus sucuuba.
作者信息
Waltenberger Birgit, Rollinger Judith M, Griesser Ulrich J, Stuppner Hermann, Gelbrich Thomas
机构信息
Institute of Pharmacy, University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria.
出版信息
Acta Crystallogr C. 2011 Oct;67(Pt 10):o409-12. doi: 10.1107/S0108270111035761. Epub 2011 Sep 29.
Abstract
The stereochemistry of the iridoid plumeridoid C, C(15)H(18)O(7), was established by X-ray single-crystal structure analysis, giving (2'R,3R,4R,4aS,7aR)-methyl 3-hydroxy-4'-[(S)-1-hydroxyethyl]-5'-oxo-3,4,4a,7a-tetrahydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate. The absolute structure of the title compound was determined on the basis of the Flack x parameter and Bayesian statistics on Bijvoet differences. The hydrogen-bond donor and acceptor functions of the two hydroxy groups are employed in the formation of O-H···O-bonded helical chains.
摘要
通过X射线单晶结构分析确定了环烯醚萜类化合物羽扇豆苷C（C₁₅H₁₈O₇）的立体化学结构，其结构为(2'R,3R,4R,4aS,7aR)-3-羟基-4'-[(S)-1-羟乙基]-5'-氧代-3,4,4a,7a-四氢-1H,5'H-螺[环戊[c]吡喃-7,2'-呋喃]-4-羧酸甲酯。基于Flack x参数和对Bijvoet差值的贝叶斯统计确定了标题化合物的绝对结构。两个羟基的氢键供体和受体功能用于形成O-H···O键合的螺旋链。
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