Products 501686-62-0

CAS 501686-62-0 is the registry number for 3-(acetyloxy)-7,12-dioxo-cholan-24-oic Acid Ethyl Ester. Offered by: TRC. Available pack sizes: 100mg.

3-(acetyloxy)-7,12-dioxo-cholan-24-oic Acid Ethyl Ester
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Ethyl (4R)-4-[(3R,5S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate (CAS 501686-62-0) is a chemical compound with the molecular formula C28H42O6 and a molecular weight of 474.6 g/mol. IUPAC name: ethyl (4R)-4-[(3R,5S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate. InChIKey: MDZJRORCBYPABP-VQKPRCDMSA-N.

Identity
Molecular formulaC28H42O6
Molecular weight474.6 g/mol
IUPAC nameethyl (4R)-4-[(3R,5S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
InChIKeyMDZJRORCBYPABP-VQKPRCDMSA-N
SMILESCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C(=O)CC3C2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Computed by PubChem (NCBI)

Synonyms: 3-(acetyloxy)-7,12-dioxo-cholan-24-oic Acid Ethyl Ester
Isomers (same molecular formula)
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(2-phenylethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate C28H42O6
methyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C28H42O6
(2R)-6-[[(3S,8R,9S,10R,13S,14S,17R)-17-hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyl-2H-pyran-5-one C28H42O6
methyl (4R)-4-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate C28H42O6