Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A
2020
Ndukwe, Ikenna E. | Wang, Xiao | Lam, Nelson Y. S. | Ermanis, Kristaps | Alexander, Kelsey L. | Bertin, Matthew J. | Martin, Gary E. | Muir, Garrett | Paterson, Ian | Britton, Robert | Goodman, Jonathan M. | Helfrich, Eric J. N. | Piel, Jörn | Gerwick, William H. | Williamson, R Thomas
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.
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