3-Oxo-12alpha-hydroxy-5beta-cholanoic Acid
Product Specifications
CAS Number
4185-01-7
Synonyms
Cholan-24-oic acid, 12-hydroxy-3-oxo-, (5β,12α)-; 5β-Cholan-24-oic acid, 12α-hydroxy-3-oxo- (8CI); 5β-Cholanic acid, 12α-hydroxy-3-oxo- (7CI); (5β,12α)-12-Hydroxy-3-oxocholan-24-oic acid; 12α-Hydroxy-3-keto-5β-cholanoic acid; 12α-Hydroxy-3-oxo-5β-chol-24-oic acid; 12α-Hydroxy-3-oxo-5β-cholan-24-oic acid; 12α-Hydroxy-3-oxo-5β-cholanic acid; 12α-Hydroxy-3-oxo-5β-cholanoic acid; 3-Oxo-12α-hydroxy-5β-cholanic acid; 3-Oxo-12α-hydroxy-5β-cholanoic acid; 3-Oxo-12α-hydroxycholan-24-oic acid; 3-Oxodeoxycholic acid
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
InChI
InChI=1S/C24H38O4/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/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21+,23+,24-/m1/s1
Additionnal Information
IUPAC name: (4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C
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