title: Determination of a new chromone from Aurantii Fructus Immaturus by DFT/GIAO method.
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.
authors.affiliation: a Department of Pharmacy , Yanbian University Hospital , Yanji , Jilin Province 133000 , P.R. China.|b Yanbian University College of Pharmacy , Yanji , Jilin Province 133000 , P.R. China.
authors.forename: Zhe
authors.initials: Z
authors.lastname: Jiang
authors.affiliation: a Department of Pharmacy , Yanbian University Hospital , Yanji , Jilin Province 133000 , P.R. China.|b Yanbian University College of Pharmacy , Yanji , Jilin Province 133000 , P.R. China.
authors.forename: Fang
authors.initials: F
authors.lastname: Liu
authors.affiliation: b Yanbian University College of Pharmacy , Yanji , Jilin Province 133000 , P.R. China.
authors.forename: Aijiao
authors.initials: A
authors.lastname: Zhong
authors.affiliation: b Yanbian University College of Pharmacy , Yanji , Jilin Province 133000 , P.R. China.
authors.forename: Jiaxiu
authors.initials: J
authors.lastname: Dugu
authors.affiliation: a Department of Pharmacy , Yanbian University Hospital , Yanji , Jilin Province 133000 , P.R. China.|b Yanbian University College of Pharmacy , Yanji , Jilin Province 133000 , P.R. China.
authors.forename: Xuezheng
authors.initials: X
authors.lastname: Li
mesh_terms: D002867:Chromones / Q000737:chemistry* / Q000302:isolation & purification; D002957:Citrus / Q000737:chemistry; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D000431:Ethanol; D005419:Flavonoids; D009682:Magnetic Resonance Spectroscopy; D010936:Plant Extracts / Q000737:chemistry; D012997:Solvents; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D002867:Chromones; D004365:Drugs, Chinese Herbal; D005419:Flavonoids; D010936:Plant Extracts; D012997:Solvents; D000431:Ethanol
keywords: Aurantii Fructus Immaturus; GIAO; chromone