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Colletofurans A-E, 1-Octyl-1,3-dihydroisobenzofuran Derivatives from Colletotrichum boninense AM-12-2.

Nanang Rudianto ArieftaMuhlisun AzimTakako AboshiTakuya KosekiYoshimasa TaniguchiMakoto FujitaYoshihito Shiono
Published in: Organic letters (2020)
3-(3-Hydroxy-2-(hydroxymethyl)phenyl)propanoic acid, 2-hydroxymethyl-3-hydroxy-(E)-cinnamic acid, and colletofurans A-E were isolated from Colletotrichum boninense AM-12-2. Colletofurans A-E are the first natural compounds featuring a 1-octyl-1,3-dihydroisobenzofuran core. Their structures were initially established by 1D/2D-NMR and HRESITOFMS. Mosher's ester method was used to determine the absolute configurations of secondary alcohols in colletofurans A-C. The structures of colletofurans A and B-E were further confirmed by DFT GIAO calculations and the X-ray crystalline sponge method, respectively.
Keyphrases
  • high resolution
  • density functional theory
  • magnetic resonance
  • molecular dynamics
  • molecular dynamics simulations
  • mass spectrometry
  • magnetic resonance imaging
  • computed tomography
  • monte carlo
  • electron microscopy