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化合物简介
Bergamottin is a natural furanocoumarin found principally in grapefruit juice. It is also found in the oil of bergamot orange, from which it was first isolated and from which its name is derived. To a lesser extent, bergamottin is also present in the essential oils of other citrus fruits. Along with the chemically related compound 6',7'-dihydroxybergamottin, it is believed to be responsible for the grapefruit juice effect, in which the consumption of the juice affects the metabolism of a variety of pharmaceutical drugs.
基本信息
CAS:7380-40-7
中文别名:香柠檬亭;香柠檬素;
英文别名:5-Geranoxypsoralen;Bergamottin;5-geranyloxypsoralen;Bergomottin;5-geranyloxypsolaren;Bergaptin;Bergamotine;4-{[(2\'E)-3\',7\'-dimethyl-2\',6\'-octadienyl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one;7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-;Bergamotin;
分子式:C21H22O4
分子量:338.397
精确质量:338.152
Psa:52.58
Logp:5.6107
中文别名:香柠檬亭;香柠檬素;
英文别名:5-Geranoxypsoralen;Bergamottin;5-geranyloxypsoralen;Bergomottin;5-geranyloxypsolaren;Bergaptin;Bergamotine;4-{[(2\'E)-3\',7\'-dimethyl-2\',6\'-octadienyl]oxy}-7H-furo[3,2-g][1]benzopyran-7-one;7H-Furo[3,2-g][1]benzopyran-7-one, 4-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-;Bergamotin;
分子式:C21H22O4
分子量:338.397
精确质量:338.152
Psa:52.58
Logp:5.6107
编号系统
UNII:JMU611YFRB
物化性质
密度:1.153g/cm3
沸点:503.7ºC at 760 mmHg
熔点:75-80ºC
闪点:258.4ºC
折射率:1.583
储存条件:2-8ºC
沸点:503.7ºC at 760 mmHg
熔点:75-80ºC
闪点:258.4ºC
折射率:1.583
储存条件:2-8ºC
安全信息
安全说明:S22-S24/25
生产方法及用途
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict
