Isolation and structural elucidation of novel fusicoccan dehydroxypericonicin A from Roussoella sp

Biosci Biotechnol Biochem. 2021 Jul 23;85(8):1798-1801. doi: 10.1093/bbb/zbab103.

Abstract

A potent antifungal fusicoccane dehydroxypericonicin A (1) was isolated from Roussoella sp. along with known allantofuranone (2). The relative structure of 1 was fully elucidated by NMR spectroscopic manner. The suggested relative structure was confirmed by density functional theory (DFT)-based 13C NMR chemical shift calculations. The absolute configuration was investigated by a spectral comparison of the experimental electronic circular dichroism spectrum with that based on the DFT calculations.

Keywords: DFT-based spectral calculations; dehydroxypericonicin A; structural elucidation.

MeSH terms

  • Ascomycota / chemistry*
  • Density Functional Theory
  • Molecular Structure
  • Spectrum Analysis / methods
  • Stereoisomerism

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