Determination of a new chromone from Aurantii Fructus Immaturus by DFT/GIAO method

Nat Prod Res. 2016;30(1):69-73. doi: 10.1080/14786419.2015.1034713. Epub 2015 Jul 15.

Abstract

Investigation of EtOAc fraction from the 95% ethanol extract of Aurantii Fructus Immaturus led to the isolation of one new chromone (1) and seven known flavonoids (2-8). Their structures were elucidated mainly by NMR and HR-ESI-MS, as well as on comparison with the reported NMR data. The final substituent pattern of 1 was defined by comparison of (13)C NMR data calculated by DFT/GIAO with those of experimental NMR data.

Keywords: Aurantii Fructus Immaturus; GIAO; chromone.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromones / chemistry*
  • Chromones / isolation & purification
  • Citrus / chemistry
  • Drugs, Chinese Herbal / chemistry*
  • Ethanol
  • Flavonoids
  • Magnetic Resonance Spectroscopy
  • Plant Extracts / chemistry
  • Solvents
  • Spectrometry, Mass, Electrospray Ionization

Substances

  • Chromones
  • Drugs, Chinese Herbal
  • Flavonoids
  • Plant Extracts
  • Solvents
  • Ethanol