Methyl 3-Oxo-desoxycholate

cas: 10538-58-6 — see every product listed under this CAS number, including other names

Methyl 3-Oxo-desoxycholate (CAS 10538-58-6) is a chemical reagent available from Chemat. Available pack sizes: 2,5g, 250mg. Offered by: TRC.

brandTRC
catalog numberTRC-M321200-2.5G
cas10538-58-6
size2,5g
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Structural formula: {0} (CAS {1})

Methyl (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]pentanoate (CAS 10538-58-6) is a chemical compound with the molecular formula C25H40O4 and a molecular weight of 404.6 g/mol. IUPAC name: methyl (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]pentanoate. InChIKey: LOJPGRHPJBGMMF-CNZSLQMUSA-N.

Identity
Molecular formulaC25H40O4
Molecular weight404.6 g/mol
IUPAC namemethyl (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]pentanoate
InChIKeyLOJPGRHPJBGMMF-CNZSLQMUSA-N
SMILESC[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)O)C

Computed by PubChem (NCBI)

Synonyms: Methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate, Methyl 3-Oxo-desoxycholate, Methyl 12-hydroxy-3-oxocholan-24-oate, Methyl(5,12)-12-hydroxy-3-oxocholan-24-oate, Methyl (5,12)-12-hydroxy-3-oxocholan-24-oate
Related forms of this compound
methyl (4S)-4-[(5R,10S,12R,13R,14R,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]pentanoate C25H40O4
Isomers (same molecular formula)
methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C25H40O4
methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C25H40O4
methyl (4R)-4-[(3R,5R,8S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C25H40O4
methyl (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]pentanoate C25H40O4
methyl (4R)-4-[(3R,5R,8S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C25H40O4

Also listed as

Methyl (R)–4–((5R,8R,9S,10S,12S,13R,14S,17R)–12–hydroxy–10,13–dimethyl–3–oxohexadecahydro–1H–cyclopenta(a)phenanthren–17–yl)pentanoate GLPBio CAS 10538-58-6