(5Beta,6Alpha)-6-Hydroxy-3-oxo-cholan-24-oic Acid

cas: 67733-54-4 — see every product listed under this CAS number, including other names

(5Beta,6Alpha)-6-Hydroxy-3-oxo-cholan-24-oic Acid (CAS 67733-54-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-H949030-10MG
cas67733-54-4
size10mg
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Available pack sizes

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TRC 10mg price on request
TRC 5mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid is a bile acid.

Source: ChEBI

Identity
Molecular formulaC24H38O4
Molecular weight390.6 g/mol
IUPAC name(4R)-4-[(5R,6S,8S,9S,10R,13R,14S,17R)-6-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
InChIKeyIJKCGHHONSZERK-MOSSOHAFSA-N
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CCC(=O)C4)C)O)C

Computed by PubChem (NCBI)

Synonyms: 6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid, (5b,6a)-6-Hydroxy-3-oxo-cholan-24-oic Acid, (5beta,6alpha)-6-Hydroxy-3-oxo-cholan-24-oic Acid, Ursodeoxycholic Acid Impurity 116, (5|A,6|A)-6-Hydroxy-3-oxo-cholan-24-oic Acid
Related forms of this compound
(4R)-4-[(5R,6R,8S,9S,10R,13R,14S,17R)-6-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
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
(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