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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
CAS:83-44-3
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;
分子式:C24H40O4
分子量:392.572
精确质量:392.293
Psa:77.76
Logp:4.4779
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;
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.
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
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 解热、镇静、镇痉、消炎、降压等,肝胆药物。
用途
解热、镇静、镇痉、消炎、降压等,肝胆药物。
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 解热、镇静、镇痉、消炎、降压等,肝胆药物。
用途
解热、镇静、镇痉、消炎、降压等,肝胆药物。
合成路线
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Predict 1H proton NMR

13C NMR : Predict

Mass

IR : nujol mull

IR : KBr disc
