Products 10538-64-4
CAS 10538-64-4 appears in our catalog under these names: Allocholic acid Impurity 2, Cholic Acid Impurity 63, (3a,5b,7a)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, >95% (HPLC), (3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-12-oxocholan-24-oic Acid Methyl Ester, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 25mg, 50mg.
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.
| Molecular formula | C25H40O5 |
|---|---|
| Molecular weight | 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 |
| SMILES | C[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