94805-82-0
中文名稱
甘草香豆素
英文名稱
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
CAS
94805-82-0
分子式
C21H20O6
分子量
368.38
MOL 文件
94805-82-0.mol
更新日期
2026/06/08 20:02:40
94805-82-0 結(jié)構(gòu)式
基本信息
中文別名
甘草香豆素 英文別名
GlycycoumarinGlycocoumarin -
Glycocoumarin - Glycyrrhiza uralensis (liquorice)
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
3-(2,4-Dihydroxyphenyl)-6-(3-methyl-2-butenyl)-5-methoxy-7-hydroxy-2H-1-benzopyran-2-one
3-(2,4-Dihydroxyphenyl)-5-methoxy-6-(3-methyl-2-butenyl)-7-hydroxy-2H-1-benzopyran-2-one
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-2-one
2H-1-Benzopyran-2-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-
所屬類別
天然產(chǎn)物：香豆素物理化學(xué)性質(zhì)
熔點243.5-244.5℃
沸點646.9±55.0 °C(Predicted)
密度1.342±0.06 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度溶于二甲基亞砜
酸度系數(shù)(pKa)7.86±0.20(Predicted)
形態(tài)solid
顏色white to beige
生物來源plant
主要應(yīng)用metabolomics
vitamins, nutraceuticals, and natural products
vitamins, nutraceuticals, and natural products
InChI1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
InChIKeyNZYSZZDSYIBYLC-UHFFFAOYSA-N
SMILES[o]1c2c(c(c(c(c2)O)CC=C(C)C)OC)cc([c]1=O)c3c(cc(cc3)O)O