Ganorbifates A and B from Ganoderma orbiforme, determined by DFT calculations of NMR data and ECD spectra.

Xia YinThi Mai Luong TuongJun-Mian TianGennaro Pescitelli Jin-Ming Gao

Published in: Chemical communications (Cambridge, England) (2021)

Ganorbifate A featuring an unprecedented 6/6/6/5/5 pentacyclic system, and ganorbifate B with an unusual 6/4/6/5/8/5 ring system were isolated from the fruiting body of Ganoderma orbiforme. Their structures were established using extensive spectroscopic analysis, including DFT calculations of NMR data and ECD spectra.

Keyphrases

density functional theory
molecular dynamics
high resolution
magnetic resonance
molecular docking
electronic health record
big data
solid state
molecular dynamics simulations
data analysis
mass spectrometry
machine learning