3-Oxo-12a-hydroxy-5b-cholanoic Acid
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Product Overview
Product Code
TRC-O856870
CAS Number
Product Format
Neat
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
API Family
Cholic AcidProduct Categories
Product Type
ContaminantPurity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
3-Oxo-12alpha-hydroxy-5beta-cholanoic Acid
CAS Number
4185-01-7
Molecular Formula
C24 H38 O4
Molecular Weight
390.56
Accurate Mass
390.277
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
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
IUPAC
(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
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Contaminant
Product Format
Neat
API Family
Purity
>95% (HPLC)