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化合物简介
Rhein, also known as cassic acid, is a substance in the anthraquinone group obtained from rhubarb. Like all such substances, rhein is a cathartic. Rhein is commonly found as a glycoside such as rhein-8-glucoside or glucorhein. Rhein was first isolated in 1895. It is found in rhubarb species like Rheum undulatum and Rheum palmatum as well as in Cassia reticulata.
基本信息
CAS:478-43-3
中文别名:1,8-二羟基-3-羧基蒽醌;9,10-二氢-4,5-二羟基-9,10-二氧代-2-蒽羧酸;4,5-二羟基蒽醌-2-羧酸;4,5-二羟蒽醌-2-羧酸;
英文别名:1,8-dihydroxy-3-carboxy-9,10-anthraquinone;4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;Cassic acid;2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-;Rheic acid;Rhubarb Yellow;1,8-dihydroxyanthraquinone-3-carboxylic acid;4,5-dihydroxyanthraquinone-2-carboxylic acid;1,8-dihydroxy-3-carboxyanthraquinone;9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid;Monorhein;4,5-Dihydroxyanthraquinone-2-carboxylic acid;9,10-dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid;Rheic Acid;Chrysazin-3-carboxylic acid;
分子式:C15H8O6
分子量:284.22
精确质量:284.032
Psa:111.9
Logp:1.5714
中文别名:1,8-二羟基-3-羧基蒽醌;9,10-二氢-4,5-二羟基-9,10-二氧代-2-蒽羧酸;4,5-二羟基蒽醌-2-羧酸;4,5-二羟蒽醌-2-羧酸;
英文别名:1,8-dihydroxy-3-carboxy-9,10-anthraquinone;4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;Cassic acid;2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-;Rheic acid;Rhubarb Yellow;1,8-dihydroxyanthraquinone-3-carboxylic acid;4,5-dihydroxyanthraquinone-2-carboxylic acid;1,8-dihydroxy-3-carboxyanthraquinone;9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid;Monorhein;4,5-Dihydroxyanthraquinone-2-carboxylic acid;9,10-dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid;Rheic Acid;Chrysazin-3-carboxylic acid;
分子式:C15H8O6
分子量:284.22
精确质量:284.032
Psa:111.9
Logp:1.5714
编号系统
MDL号:MFCD00009618
物化性质
外观与性状:为咖啡色针晶,升华后为黄色针晶。熔点 321-322℃,水溶性<0.1g/100mL
熔点:≥300°C(lit.)
储存条件:2-8°C
熔点:≥300°C(lit.)
储存条件:2-8°C
安全信息
RTECS号:CA9516000
安全说明:S26; S37/39
危险类别码:R36/37/38
WGK Germany:2
海关编码:2918990090
危险品标志:Xi
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
安全说明:S26; S37/39
危险类别码:R36/37/38
WGK Germany:2
海关编码:2918990090
危险品标志:Xi
危险标志:GHS07
信号词:Warning
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
生产方法及用途
用途
蛋白酶抑制剂。医药。
蛋白酶抑制剂。医药。
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict
