Cholic Acid Impurity 63

cas: 10538-64-4 — see every product listed under this CAS number, including other names

Cholic Acid Impurity 63 (CAS 10538-64-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC57153
cas10538-64-4
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate (CAS 10538-64-4) is a chemical compound with the molecular formula C25H40O5 and a molecular weight of 420.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: LGWDBNNCYKGKFM-DFAIRORGSA-N.

Identity
Molecular formulaC25H40O5
Molecular weight420.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyLGWDBNNCYKGKFM-DFAIRORGSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 12-Ketochenodeoxycholic acid methyl ester, Methyl 3alpha,7alpha-dihydroxy-12-oxo-5beta-Cholan-24-oate, 5beta-Cholan-24-oic acid, 3alpha,7alpha-dihydroxy-12-oxo-, methyl ester, (3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, (3a,?5b,?7a)?-3,?7-?Dihydroxy-?12-?oxocholan-?24-?oic Acid Methyl Ester, Allocholic Acid Impurity 2, (3alpha,5beta,7alpha)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-12-oxo-, methyl ester, Methyl 3,7-dihydroxy-12-oxocholan-24-oate, methyl 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate
Isomers (same molecular formula)
bis(2-ethylhexyl) 4-(hydroxymethyl)benzene-1,2-dicarboxylate C25H40O5
methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5

Also listed as

Allocholic acid Impurity 2 Chemat Brand CAS 10538-64-4
(3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, >95% (HPLC) TRC CAS 10538-64-4
(3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, >95% (HPLC) TRC CAS 10538-64-4