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

<div><p>Investigation of EtOAc fraction from the 95% ethanol extract of <i>Aurantii Fructus</i><i>Immaturus</i> led to the isolation of one new chromone (<b>1</b>) and seven known flavonoids (<b>2</b>–<b>8</b>). 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 <b>1</b> was defined by comparison of <sup>13</sup>C NMR data calculated by DFT/GIAO with those of experimental NMR data.</p></div>