Lithocholic acid

Catalog Number: BC-0915

CAS Number: 434-13-9

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Specifications

Product Information
Molecular Formula	C₂₄H₄₀O₃
Molecular Weight	376.57
Purity	≥97% by TLC
SMILES	CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
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
InChi Key	SMEROWZSTRWXGI-HVATVPOCSA-N
Alternate Name	3α-Hydroxy-5β-cholan-24-oic acid, 3α-Hydroxy-5β-cholanic acid, 5β-Cholan-24-oic acid-3α-ol; LCA
Appearance	White to off-white solid
IUPAC Name	(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

Properties
Storage Conditions	RT
Shipping Conditions	RT
Solubility	DMSO or EtOH

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