67030-51-7

Basic information

• Product Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,]
• Synonyms: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,];Deoxycholic acid disulfate
• CAS NO: 67030-51-7
• Molecular Formula: C24H40O10S2
• Molecular Weight: 552.7
• Mol File: 67030-51-7.mol
• Article Data: 0

Chemical Properties

• Appearance: /
• Density: 1.41±0.1 g/cm3(Predicted)
• PKA: -3.53±0.18(Predicted)
• CAS DataBase Reference: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,](CAS DataBase Reference)
• NIST Chemistry Reference: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,](67030-51-7)
• EPA Substance Registry System: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,](67030-51-7)

Safety Data

• Hazardous Substances Data: 67030-51-7(Hazardous Substances Data)

Usage

General Description

(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-disulfooxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoic acid, also known as chenodeoxycholic acid, is a bile acid that is involved in the emulsification and absorption of dietary fats. It is synthesized in the liver and stored in the gallbladder, and is released into the small intestine during digestion to aid in the breakdown and absorption of fats. Chenodeoxycholic acid also plays a role in cholesterol metabolism and homeostasis, and has been used as a pharmaceutical agent in the treatment of certain liver and gallbladder disorders.

InChI:InChI=1/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/p-2/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1