Structural Discrimination in Small Molecules by Accurate Measurement of Long-Range Proton-Carbon NMR Residual Dipolar Couplings

被引：55

作者：

Trigo-Mourino, Pablo ^{[1
,2
]}

Navarro-Vazquez, Armando ^{[2
]}

Ying, Jinfa ^{[3
]}

Gil, Roberto R. ^{[1
]}

Bax, Ad ^{[3
]}

机构：

[1] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA

[2] Univ Vigo, Dept Quim Organ, Vigo 36310, Spain

[3] NIDDK, Chem Phys Lab, NIH, Bethesda, MD 20892 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2011年 / 50卷 / 33期

关键词：

configuration determination; J couplings; NMR spectroscopy; residual dipolar couplings; structure elucidation; ONE-BOND COUPLINGS; ORGANIC-MOLECULES; STRUCTURE ELUCIDATION; TUNABLE ALIGNMENT; METHYLENE PROTONS; SPECTROSCOPY; CONFIGURATION; SENSITIVITY; ASSIGNMENT; PARAMETERS;

D O I：

10.1002/anie.201101739

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Accurate measurement of long-range CH residual dipolar couplings (RDCs; 2D CH and 3D CH) by a new selective J-scaled HSQC experiment significantly improves the structural discrimination power of RDCs in small molecules with multiple stereogenic centers. The current approach was demonstrated with 10-epi-8-deoxycumambrin B, a tricyclic natural compound with five stereogenic centers (see figure; SVD=singular value decomposition). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：7576 / 7580

页数：5

共 41 条

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