Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A. Issue 55 (10th June 2020) - Ndukwe, Ikenna E.
Abstract : A combined computational and anisotropic NMR investigation defined likely configuration of phormidolide. Abstract : Characterization of the complex molecular scaffold of the marine polyketide natural product phormidolide A represents a challenge that has persisted for nearly two decades. In light of discordant results arising from recent synthetic and biosynthetic reports, a rigorous study of the configuration of phormidolide A was necessary. This report outlines a synergistic effort employing computational and anisotropic NMR investigation, that provided orthogonal confirmation of the reassigned side chain, as well as supporting a further correction of the C7 stereocenter.