(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

cas: 5130-29-0 — see every product listed under this CAS number, including other names

(R)-4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid (CAS 5130-29-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 100mg, 250mg, 1g. Offered by: Chemat.

• 2D
• 3D

12-ketolithocholic acid is a bile acid.

Source: ChEBI

Identity

Molecular formula	C24H38O4
Molecular weight	390.6 g/mol
IUPAC name	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
InChIKey	CVNYHSDFZXHMMJ-VPUMZWJWSA-N
SMILES	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: 12-Ketolithocholic acid, 3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic Acid, 3alpha-Hydroxy-12-0X0-5beta-cholanoic acid, Cholan-24-oic acid, 3-hydroxy-12-oxo-, (3alpha,5beta)-, 3-hydroxy-12-ketocholanoic acid, 3 alpha-hydroxy-12-keto-5 beta-cholanoic acid, 12-Ketodeoxycholic acid, 12-Oxolithocholic acid, Cholic Acid Impurity 9, 12-Dehydrodeoxycholic acid

Isomers (same molecular formula)

dioctan-2-yl benzene-1,2-dicarboxylate C₂₄H₃₈O₄

(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₄H₃₈O₄

bis(2-ethylhexyl) benzene-1,3-dicarboxylate C₂₄H₃₈O₄

dioctyl benzene-1,4-dicarboxylate C₂₄H₃₈O₄

dioctyl benzene-1,2-dicarboxylate C₂₄H₃₈O₄

bis(6-methylheptyl) benzene-1,2-dicarboxylate C₂₄H₃₈O₄

bis(2-ethylhexyl) benzene-1,2-dicarboxylate C₂₄H₃₈O₄

(4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₄H₃₈O₄

(4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₄H₃₈O₄

bis(2-ethylhexyl) benzene-1,4-dicarboxylate C₂₄H₃₈O₄

(1R,2R,4R,5R,7S,10R,11S,14S,15S,16S,18S,19S)-15-(3-hydroxypropyl)-10,14-dimethylhexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-5,7,15-triol C₂₄H₃₈O₄

(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₄H₃₈O₄