Application of a computer-assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton.

ABSTRACT: The structure of a novel compound from Adansonia digitata has been elucidated, and its ¹ H and ¹³ C NMR spectra have been assigned employing a variety of one-dimensional and two-dimensional NMR techniques without degradative chemistry. The Advanced Chemistry Development ACD/Structure Elucidator software was important for determining part of this structure that contained a fused bicyclic system with very few hydrogen atoms, which in turn, exhibited essentially no discriminating HMBC connectivities throughout that portion of the molecule. Copyright © 2016 John Wiley & Sons, Ltd.

SUBMITTER: Li XN 

PROVIDER: S-EPMC5319920 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature