LITHOCHOLIC ACID

(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

CAS: 434-13-9

Molecular Formula	`C24H40O3`
Molecular Weight	376.6 g/mol
LogP	6.3
Topological Polar Surface Area	57.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	376.29776
Heavy Atoms	27
Complexity	574.0

Chemical Identifiers

CAS Number	434-13-9
SMILES	`CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C`
InChIKey	`SMEROWZSTRWXGI-HVATVPOCSA-N`

📖 Product Overview

LITHOCHOLIC ACID (CAS: 434-13-9) is a chemical compound with molecular formula C24H40O3 and molecular weight 376.6 g/mol. Its IUPAC systematic name is (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. LogP 6.3 Topological Polar Surface Area 57.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 376.29776 Heavy Atoms 27 Complexity 574.0 InChI Key: SMEROWZSTRWXGI-HVATVPOCSA-N. SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.

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