(3Alpha,5Beta)-3-((Ethoxycarbonyl)oxy)-7-oxo-cholan-24-oic Acid Methyl Ester

cas: 96475-64-8 — see every product listed under this CAS number, including other names

(3Alpha,5Beta)-3-((Ethoxycarbonyl)oxy)-7-oxo-cholan-24-oic Acid Methyl Ester (CAS 96475-64-8) is a chemical reagent available from Chemat. Available pack sizes: 250mg, 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-E891915-250MG
cas96475-64-8
size250mg
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Structural formula: {0} (CAS {1})

Methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-ethoxycarbonyloxy-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 (CAS 96475-64-8) is a chemical compound with the molecular formula C28H44O6 and a molecular weight of 476.6 g/mol. IUPAC name: methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-ethoxycarbonyloxy-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. InChIKey: BASXPVZSBPLCKO-KJLIZYLQSA-N.

Identity
Molecular formulaC28H44O6
Molecular weight476.6 g/mol
IUPAC namemethyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-ethoxycarbonyloxy-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
InChIKeyBASXPVZSBPLCKO-KJLIZYLQSA-N
SMILESCCOC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C[C@@H]2C1)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C

Computed by PubChem (NCBI)

Synonyms: (3a,5b)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester, (3alpha,5beta)-3-[(Ethoxycarbonyl)oxy]-7-oxo-cholan-24-oic Acid Methyl Ester
Isomers (same molecular formula)
methyl (4R)-4-[(1S,2S,4R,5R,7R,10R,11S,14R,15R,18S)-7-ethoxycarbonyloxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadecan-15-yl]pentanoate C28H44O6
(2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C28H44O6
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[(2R,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C28H44O6
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C28H44O6