百科

去氧胆酸

去氧胆酸

CAS号：83-44-3

英文名：Deoxycholic Acid

分子式

C24H40O4

熔点

171-174°C(lit.)

密度

1.128 g/cm3

分子量

392.572

沸点

547.1ºC at 760 mmHg

溶解度

0.24 g/L (15 ºC)

信号词

危险品标志

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化合物简介

Deoxycholic acid (conjugate base deoxycholate), also known as cholanoic acid and 3α,12α-dihydroxy-5β-cholan-24-oic acid, is a bile acid. Deoxycholic acid is one of the secondary bile acids, which are metabolic byproducts of intestinal bacteria. The two primary bile acids secreted by the liver are cholic acid and chenodeoxycholic acid. Bacteria metabolize chenodeoxycholic acid into the secondary bile acid lithocholic acid, and they metabolize cholic acid into deoxycholic acid. There are additional secondary bile acids, such as ursodeoxycholic acid. Deoxycholic acid is soluble in alcohol and acetic acid. When pure, it comes in a white to off-white crystalline powder form.

基本信息

中文名称

去氧胆酸

英文名称

Deoxycholic Acid

中文别名

3α,12α-二羟-5β-胆烷酸、3α,12α-二羟基-5β-胆烷酸、脱氧胆酸、络胆酸、去氧膽酸

英文别名

Cholan-24-oic acid, 3,12-dihydroxy-, (3α,5β,12α)-、Deoxycholic acid

CAS号

83-44-3

分子式

C24H40O4

分子量

392.572

精确质量

392.293

PSA

77.76

LOGP

4.4779

编号系统

UNII

005990WHZZ

物化性质

外观与性状

白色至灰白色结晶粉末

密度

1.128 g/cm3

沸点

547.1ºC at 760 mmHg

熔点

171-174°C(lit.)

闪点

298.8ºC

折射率

1.543

水溶解性

0.24 g/L (15 ºC)

稳定性

Stable. Combustible. Incompatible with strong oxidizing agents.

储存条件

Store at RT.

安全信息

RTECS号

FZ2100000

安全说明

S26-S36-S37/39

WGK Germany

3

危险类别码

R22; R36/37/38

危险品标志

Xn

生产方法及用途

生产方法

1.牛胆水解液加入氢氧化钠和40%水溶液于80-90℃,搅拌2h,冷却至20℃,过滤后滤液用50%硫酸在10℃调节至ph值1.5,滤集沉淀用水洗至中性。湿滤饼在40℃以乙酸乙酯和苯混合溶液 (1
∶1)搅拌,趁热滤去不溶物,冷却,溶液中析出晶体即为成品。

用途

解热、镇静、镇痉、消炎、降压等，肝胆药物。

合成路线

共找到19条合成路线 >

石胆酸

去氧胆酸

鹅去氧胆酸

鹅去氧胆酸

熊去氧胆酸

熊去氧胆酸

3Α-羟基-7-氧代-5Β-胆烷酸

3Α-羟基-7-氧代-5Β-胆烷酸

4-[(5S,7S,8S,10S,13R,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]戊酸

4-[(5S,7S,8S,10S,13R,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-基]戊酸

上游原料

共找到29个上游原料 >

甘氨脱氧胆酸钠

甘氨脱氧胆酸钠

(3alpha,5beta,12alpha)-12,24-二羟基-24-氧代胆烷-3-基beta-D-吡喃葡糖苷酸

(3alpha,5beta,12alpha)-12,24-二羟基-24-氧代胆烷-3-基beta-D-吡喃葡糖苷酸

3-beta-羟基-12-氧代-5-beta-胆烷酸

3-beta-羟基-12-氧代-5-beta-胆烷酸

12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester

12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester

(3alpha,5beta,12alpha)-3,12-双(乙酰氧基)-7-酮基胆烷-24-酸甲酯

(3alpha,5beta,12alpha)-3,12-双(乙酰氧基)-7-酮基胆烷-24-酸甲酯

12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24)

12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24)

下游产品

共找到17个下游商品 >

甘氨脱氧胆酸

甘氨脱氧胆酸

地黄苷元

甘氨脱氧胆酸钠

甘氨脱氧胆酸钠

3α,12α,24-trihydroxy-5β-cholane

3α,12α,24-trihydroxy-5β-cholane

(4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

(4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

(S)-(+)-2-氨基丁烷

(S)-(+)-2-氨基丁烷

上游原料

甘氨脱氧胆酸钠 (3alpha,5beta,12alpha)-12,24-二羟基-24-氧代胆烷-3-基beta-D-吡喃葡糖苷酸 3-beta-羟基-12-氧代-5-beta-胆烷酸 12β-hydroxy-3α-acetoxy-5β-cholen-(9(11))-oic acid-(24)-methyl ester (3alpha,5beta,12alpha)-3,12-双(乙酰氧基)-7-酮基胆烷-24-酸甲酯 12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24) (R,E)-methyl 4-((3R,5R,8S,10S,13S,14S)-3-acetoxy-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoate methyl 3β-hydroxy-5β-chol-9(11)-ene-24-oate acetate 牛磺脱氧胆酸钠 methyl 3α-acetoxy-5β-chola-9(11),16-dien-24-oate 3α-Acetoxy-12-oxo-5β-cholansaeure-methylester Methyl 3α-hydroxy-12-oxo-5β-cholan-24-oate 醋酸 methyl 3alpha-acetoxy-5beta-chol-9(11)-en-24-oate methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (3alpha,8xi,9xi,10xi,12alpha,13xi,14xi,17xi)-3-乙酰氧基-12-羟基胆烷-24-酸甲酯 3a-乙酰氧基-12-氧代-5b-胆-9(11)-烯-24-酸甲酯 9α-羟基-4-雄甾烯-3,17-二酮 3α-hydroxy-5β-androst-9(11)-en-17-one 石胆酸甲醇胆酸 9alpha-hydroxy-5beta-androstane-3,17-dione (3R,5R,8S,10S,13S,14S,Z)-17-ethylidene-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol methyl (4R)-4-((3R,5R,8S,10S,13R,14S,17R)-3-acetoxy-12-(tert-butylperoxy)-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (Z)-3α-acetoxy-5β-pregna-9(11),17(20)-diene 5β-androst-9(11)-ene-3,17-dione 3,12-二氧代-5-beta-胆烷-24-酸脱氧胆酸甲酯

下游产品

甘氨脱氧胆酸地黄苷元甘氨脱氧胆酸钠 3α,12α,24-trihydroxy-5β-cholane (4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (S)-(+)-2-氨基丁烷 (3a,5b,12a)-24,24-二苯基-胆甾-20(22),23-二烯-3,12-二醇3,12-二乙酸酯石胆酸 2-[4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-二羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊并[a]菲-17-基]戊酰氨基]乙烷磺酸 (R)-2-butylammonium deoxycholate 4-(3,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 3,12-二乙酰氧基-二-去甲-胆烷基二苯基乙烯牛磺脱氧胆酸钠 N,N-二环己脲脱氧胆酸甲酯 3α,12α-dihydroxy-5β-cholan-24-oic acid 2,5-dioxopyrrolidin-1-yl ester methyl (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate