The Absolute Configuration of Dibromopalau'amine

Abstract

Abstract We determined the ensemble of conformations and therelative configuration of dibromopalau'amine by using NMR parameters such as 3 J couplings, ROEs and residual dipolar couplings. Based on the ensemble electronic circular dichroism (ECD) and optical rotatory dispersion (ORD) spectra were calculated using DFT and compared to experiment. By this method the absolute configuration of natural (–)‐dibromopalau'amine was determined as 6 S ,10 R ,11 S ,12 S ,16 R ,17 S ,18 S ,20 S .