Registration Dossier

General information

Inventory

EC number:
201-478-5
EC name:
3-α,12-α-dihydroxy-5-β-cholan-24-oic acid
CAS number:
83-44-3

No inventory information available

Reference substance information

IUPAC name:
(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
Synonyms
Names:
Cholan-24-oic acid, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
Cholan-24-oic acid, 3,12-dihydroxy-, (3?,5ß,12?)-
Deoxycholic acid
Identifier:
CAS number
83-44-3
3,12-dihydroxycholan-24-oic acid

CAS information

CAS number:
83-44-3

Molecular and structural information

Molecular formula:
C24H40O4
Molecular weight:
392.572
SMILES notation:
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
InChl:
InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
Structural formula:
Chemical structure