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化合物简介
Glycocholic acid, or cholylglycine, is a crystalline bile acid involved in the emulsification of fats. It occurs as a sodium salt in the bile of mammals. It is a conjugate of cholic acid with glycine. Its anion is called glycocholate.
基本信息
CAS:475-31-0
中文别名:N-(3,7,12-三羟基-24-羰基胆烷-24-基)-甘氨酸;甘膽酸;3α,7α,12α-三羟基-5β-胆甾烷-24-羧酸-24-甘氨酰胺;N-[(3α,5β,7α,12α)-3,7,12-三羟基-24-氧代胆甾烷-24-基]甘氨酸;
英文别名:N-Choloylglycine;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-;Glycocholic Acid Hydrate;
分子式:C26H43NO6
分子量:465.623
精确质量:465.309
Psa:127.09
Logp:2.9558
中文别名:N-(3,7,12-三羟基-24-羰基胆烷-24-基)-甘氨酸;甘膽酸;3α,7α,12α-三羟基-5β-胆甾烷-24-羧酸-24-甘氨酰胺;N-[(3α,5β,7α,12α)-3,7,12-三羟基-24-氧代胆甾烷-24-基]甘氨酸;
英文别名:N-Choloylglycine;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-;Glycocholic Acid Hydrate;
分子式:C26H43NO6
分子量:465.623
精确质量:465.309
Psa:127.09
Logp:2.9558
编号系统
MDL号:MFCD00065902
物化性质
外观与性状:白色结晶粉末,无气味的
密度:0.988863265
沸点:692ºC at 760mmHg
熔点:128°C
闪点:372.3ºC
折射率:1.56
储存条件:Refrigerator
蒸汽压:3.7E-22mmHg at 25°C
密度:0.988863265
沸点:692ºC at 760mmHg
熔点:128°C
闪点:372.3ºC
折射率:1.56
储存条件:Refrigerator
蒸汽压:3.7E-22mmHg at 25°C
安全信息
安全说明:S61
危险类别码:R51/53
WGK Germany:3
危险品运输编码:UN 3077 9/PG 3
危险品标志:N
危险类别码:R51/53
WGK Germany:3
危险品运输编码:UN 3077 9/PG 3
危险品标志:N
生产方法及用途
生产方法
可从胆汁或胆酸制取。 去氢胆酸的中间体。
用途
去氢胆酸的中间体。
可从胆汁或胆酸制取。 去氢胆酸的中间体。
用途
去氢胆酸的中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : in DMSO-d6

Mass spectrum (electron ionization)

Mass

IR : nujol mull

IR : KBr disc
