Products 2148317-51-3

CAS 2148317-51-3 is the registry number for TGR5 agonist 3. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-butyl-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid (CAS 2148317-51-3) is a chemical compound with the molecular formula C28H48O5 and a molecular weight of 464.7 g/mol. IUPAC name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-butyl-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid. InChIKey: WZSOJFRSTCSXOJ-WVAMBBLPSA-N.

Identity
Molecular formulaC28H48O5
Molecular weight464.7 g/mol
IUPAC name(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7-butyl-3,7,12-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKeyWZSOJFRSTCSXOJ-WVAMBBLPSA-N
SMILESCCCC[C@]1(C[C@@H]2C[C@@H](CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4([C@H](C3)O)C)[C@H](C)CCC(=O)O)C)O)O

Computed by PubChem (NCBI)

Synonyms: orb1944262