Determinations of the configuration of C-20 in derivatives of adynerin using DFT/HF methods

被引：10
|
作者：
Hua Yan
Ren Jie
Chen Chang-xiang
Hua-jie, Zhu [1 ]
机构：
[1] Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources W China, Oragan Synth & Nat Prod Lab, Kunming 650204, Peoples R China
[2] SW Forestry Univ, Kunming 650204, Peoples R China
来源：
CHEMICAL RESEARCH IN CHINESE UNIVERSITIES | 2007年 / 23卷 / 05期
关键词：
configuration determination; adynerin derivative; B3LYP; GIAO; NMR computation;
D O I：
10.1016/S1005-9040(07)60129-9
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The configurations of C-20 in derivatives of novel 5 alpha-adynerin type, co-existing glycoside in pair, were identified with the calculated chemical shifts of carbon at the B3LYP/6-311 + G(2d,p) level. These. glycosides are unusual cardic aglycones without the common olefin bond in ring E.
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页码：592 / 597
页数：6
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