3alpha-Hydroxy-5beta-cholan-24-oic Acid (Lithocholic Acid)
Product Code
MM0835.03-0025
CAS Number
EP Description
Chenodeoxycholic Acid Impurity C, Ursodeoxycholic Acid Impurity C
Product Format
Neat
Molecular Formula
C24 H40 O3
Molecular Weight
376.57
Product Categories
Steroids and derivatives, Mikromol, Impurity Reference Materials
Product Type
ImpurityDrug Type
Other Gastroenterology Drugs
Documentation
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Product Information
Analyte Data
Analyte Name
Lithocholic Acid
CAS Number
434-13-9
Molecular Formula
C24 H40 O3
Molecular Weight
376.57
Accurate Mass
376.2977
SMILES
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
IUPAC
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Product Data
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Product Type
Impurity
Product Format
Neat
Impurity Type
By-Product
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