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化合物简介
Purpurogallin is a red, crystalline compound, and the aglycon of several glycosides from nutgalls and oak barks. It can inhibit hydroxyestradiol methylation by catechol-O-methyltransferase. It potently and specifically inhibits TLR1/TLR2 activation pathway.
基本信息
CAS:569-77-7
中文别名:红陪酚;
英文别名:2,3,4,6-Tetrahydroxy-benzocyclohepten-5-on;5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-;Purpurogalline;2,3,4,6-Tetrahydroxybenzocyclohepten-5-one;2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one;2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one;2,3,4,5-tetrahydroxybenzo[7]annulen-6-one;
分子式:C11H8O5
分子量:220.178
精确质量:220.037
Psa:97.99
Logp:1.0224
中文别名:红陪酚;
英文别名:2,3,4,6-Tetrahydroxy-benzocyclohepten-5-on;5H-Benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-;Purpurogalline;2,3,4,6-Tetrahydroxybenzocyclohepten-5-one;2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one;2,3,4,6-tetrahydroxy-5H-benzocyclohepten-5-one;2,3,4,5-tetrahydroxybenzo[7]annulen-6-one;
分子式:C11H8O5
分子量:220.178
精确质量:220.037
Psa:97.99
Logp:1.0224
编号系统
UNII:L3Z7U4N28P
物化性质
密度:1.74g/cm3
沸点:357.9ºC at 760mmHg
熔点:275ºC (dec.)(lit.)
闪点:184.5ºC
折射率:1.79
储存条件:-20ºC
沸点:357.9ºC at 760mmHg
熔点:275ºC (dec.)(lit.)
闪点:184.5ºC
折射率:1.79
储存条件:-20ºC
安全信息
危险类别码:R36/37/38
海关编码:2914400090
危险品标志:Xi
海关编码:2914400090
危险品标志:Xi
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

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Mass

IR : KBr disc
