Products 1144012-08-7

CAS 1144012-08-7 is the registry number for Chenodeoxycholic Acid Impurity 2. Offered by: Chemat Brand. Available pack sizes: on request.

Chenodeoxycholic Acid Impurity 2
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

3alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC24H38O4
Molecular weight390.6 g/mol
IUPAC name(4R)-4-[(3R,5R,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
InChIKeyDXOCDBGWDZAYRQ-PMBBHOBUSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

Computed by PubChem (NCBI)

Synonyms: 3alpha-Hydroxy-7-oxo-5alpha-cholan-24-oic Acid, (3|A,5|A)-3-Hydroxy-7-oxocholan-24-oic acid, Ursodeoxycholic Acid impurity 108
Related forms of this compound
(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
(4R)-4-[(3S,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
Isomers (same molecular formula)
dioctan-2-yl benzene-1,2-dicarboxylate 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
(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 C24H38O4