SLCA-Sulfolithocholic acid structure

SLCA-Sulfolithocholic acid

4-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Also Known As: Sulfolithocholic acid|SLCA - Sulfolithocholic acid|(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid|4-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

CAS: 34669-57-3
Molecular Formula C24H40O6S
Molecular Weight 456.25455 g/mol
LogP 5.3342
Topological Polar Surface Area 100.9 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 6
Exact Mass 456.25455
Monoisotopic Mass 456.25455
Heavy Atoms 31
Complexity 795.89124

Chemical Identifiers

CAS Number 34669-57-3
SMILES CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)O)C)C

Product Overview

SLCA-Sulfolithocholic acid (CAS 34669-57-3), with molecular formula C24H40O6S and molecular weight 456.25455 g/mol. IUPAC: 4-(10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid.

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