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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

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

安全信息

危险类别码:R36/37/38
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


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