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

Abstract

Accurate measurement of long-range CH residual dipolar couplings (RDCs; 2DCH and 3DCH) 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). Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.