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石胆酸

石胆酸

CAS号：434-13-9

英文名：lithocholic acid

分子式

C24H40O3

熔点

183-188°C(lit.)

密度

1.073g/cm3

分子量

376.573

沸点

511ºC at 760mmHg

溶解度

信号词

危险品标志

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化合物简介

A cholic acid derivative as TGR5 modulator. Found in ox bile, human bile, rabbit bile, and in ox and pig gallstones.

基本信息

中文名称

石胆酸

英文名称

lithocholic acid

中文别名

胆石酸、3α-羟胆烷酸、3α-羟基-5β-胆甾烷-24-酸、3α-羟基-5β-胆烷酸、石酸、5β-胆甾烷-24-酸-3α-醇、3Α-烷酸

英文别名

3α-Hydroxy-5β-cholanic Acid、(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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、LITHOCHOLIC ACID、Lithocholic Acid、5β-Cholanic Acid-3α-ol、Lithocolic acid、Cholan-24-oic acid, 3-hydroxy-, (3α,5β)-

CAS号

434-13-9

分子式

C24H40O3

分子量

376.573

精确质量

376.298

PSA

57.53

LOGP

5.5071

编号系统

UNII

5QU0I8393U

物化性质

密度

1.073g/cm3

沸点

511ºC at 760mmHg

熔点

183-188°C(lit.)

闪点

276.9ºC

折射率

35.5 ° (C=1, EtOH)

储存条件

Refrigerator

蒸汽压

1.4E-12mmHg at 25°C

安全信息

RTECS号

FZ2275000

安全说明

S22-S24/25

WGK Germany

2

合成路线

共找到27条合成路线 >

(5beta)-3-氧代-胆烷-24-酸

(5beta)-3-氧代-胆烷-24-酸

石胆酸

上游原料

共找到33个上游原料 >

3alpha-乙酰氧基-7alpha,12alpha-二羟基-5beta-胆烷-24-酸甲酯

3alpha-乙酰氧基-7alpha,12alpha-二羟基-5beta-胆烷-24-酸甲酯

(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

乙酰氧基石胆酸

乙酰氧基石胆酸

乙醇钠

(5beta)-3-氧代-胆烷-24-酸

(5beta)-3-氧代-胆烷-24-酸

去氧胆酸

下游产品

共找到26个下游商品 >

3α-tosyloxy-5β-cholan-24-oic acid methyl ester

3α-tosyloxy-5β-cholan-24-oic acid methyl ester

孕烷醇酮

乙酰氧基石胆酸

乙酰氧基石胆酸

5beta-孕甾烷-3,20-二酮

5beta-孕甾烷-3,20-二酮

4-[3-(3-carboxypropanoyloxy)-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

4-[3-(3-carboxypropanoyloxy)-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

去氧胆酸

上游原料

3alpha-乙酰氧基-7alpha,12alpha-二羟基-5beta-胆烷-24-酸甲酯 (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 乙酰氧基石胆酸乙醇钠 (5beta)-3-氧代-胆烷-24-酸去氧胆酸 (R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(phenanthridin-5(6H)-yl)pentan-1-one 胆酸甲酯 3α-acetoxy-12-oxo-5β-cholanoic acid-(24) 3,7-DIKETO-5BETA-CHOLAN-24-OIC ACID (3b)-3-羟基-胆-5-烯-24-酸甲酯 3-oxo-chol-4-en-24-oic acid methyl ester (4R)-4-[(3R,5S,8S,9S,10S,13R,14S,17R)-3-羟基-10,13-二甲基-2,3,4,5,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-17-基]戊酸乙酸钠 methyl 3α-acetoxy-5β-chol-6-en-24-oate 乙醇 (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-羟基-10,13-二甲基-12-氧代-1,2,3,4,5,6,7,8,9,11,14,15,16,17-十四氢环戊烯并[a]菲-17-基]戊酸 12α-hydroxy-3α-benzoyloxy-5β-cholanoic acid-(24)-methyl ester 3α,6α-diacetoxy-7,7-ethanediyldimercapto-5β-cholan-24-oic acid Acetic acid (3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(R)-1-methyl-4-oxo-4-(6H-phenanthridin-5-yl)-butyl]-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester 3α-benzoyloxy-12-oxo-5β-cholan-24-oic acid methyl ester Methyl 3α-acetyloxy-7,12-dioxo-5β-cholan-24-oate 3alpha-[(乙氧羰基)氧基]-7,12-二氧代-5beta-胆烷-24-酸甲酯鹅去氧胆酸盐酸氨基脲水合肼 12α-hydroxy-3α-acetoxy-5β-cholanoic acid-(24) 石胆酸胆酸 methyl 3α-acetoxy-11-oxo-5β-cholan-24-oate 脱氧胆酸甲酯 3α-(3-carboxy-propionyloxy)-7,12-dioxo-5β-cholanoic acid-(24)-methyl ester

下游产品

3α-tosyloxy-5β-cholan-24-oic acid methyl ester 孕烷醇酮乙酰氧基石胆酸 5beta-孕甾烷-3,20-二酮 4-[3-(3-carboxypropanoyloxy)-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 去氧胆酸 (5beta)-3-氧代-胆烷-24-酸 4-(3,6-二羟基-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)戊酸 5-Beta-卓兰-24-醇 (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-羟基-10,13-二甲基-12-氧代-1,2,3,4,5,6,7,8,9,11,14,15,16,17-十四氢环戊烯并[a]菲-17-基]戊酸雄烯二酮鹅去氧胆酸 12-氧代-乌苏基脱氧胆酸熊去氧胆酸石胆酸甲基3,7-二氧代胆烷-24-酸酯胆酸 (3a,5b,7a)-3,7-二羟基-12-氧代-胆烷-24-酸 (20S)-3-oxopregna-1,4-diene-20-carboxaldehyde (1beta,3alpha,5beta)-1,3-二羟基-胆烷-24-酸雄甾-1,4-二烯-3,17-二酮猪去氧胆酸 7-酮基-3alpha,12alpha-二羟基胆烷酸 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 (2,5-二氧代吡咯烷-1-基)(4R)-4-[(3R,5R,10S,13R,17S)-3-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]戊酸酯