Determination of three dimensional structure of ginsenoside Rb~1 in solution by two dimensional magnetic resonance spectroscopy

Acta Chimica Sinica ›› 1994, Vol. 52 ›› Issue (3): 234-242. Previous Articles Next Articles

Original Articles

2D-NMR测定人参皂苷Rb~1溶液中的三维空间结构

杨延武;何炳林;王国玺;许肖龙;王德华;钱保功

南开大学高分子化学研究所;中国科学院武汉物理研究所;中国科学院波谱与原子分子物理国家重点实验

发布日期:1994-03-15

Determination of three dimensional structure of ginsenoside Rb~1 in solution by two dimensional magnetic resonance spectroscopy

YANG YANWU;HE BINGLIN;WANG GUOXI;XU XIAOLONG;WANG DEHUA;QIAN BAOGONG

Published:1994-03-15

Abstract

The chem. shifts of ginsenoside-Rb1 were completely assigned by homonuclear correlation spectroscopy, single and double homonuclear RELAY spectroscopy, and the coupling constants were measured by 2D J-resolved spectroscopy and 1D resoln.-enhanced spectrum. The inter-proton distances were calculated by phase sensitive NOESY spectrum. Using the structural parameters measured by NMR methods as initial input data, the three dimensional structure of ginsenoside-Rb1 in solution was calculated by combination of WUPH method with mol. mechanics.

Key words: COMPUTER APPLICATIONS, COUPLING CONSTANT, CHEMICAL SHIFT, 2D NMR SPECTROMETRY

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YANG YANWU;HE BINGLIN;WANG GUOXI;XU XIAOLONG;WANG DEHUA;QIAN BAOGONG. Determination of three dimensional structure of ginsenoside Rb~1 in solution by two dimensional magnetic resonance spectroscopy[J]. Acta Chimica Sinica, 1994, 52(3): 234-242.

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2D-NMR测定人参皂苷Rb~1溶液中的三维空间结构

Determination of three dimensional structure of ginsenoside Rb~1 in solution by two dimensional magnetic resonance spectroscopy

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