Products 4442-17-5

CAS 4442-17-5 is the registry number for 3-Ketodigoxigenin. Offered by: TRC, Biosynth. Available pack sizes: 500mg, 10mg, 5mg, 25mg, 50mg, 100mg.

3-Ketodigoxigenin
TRC, Biosynth
  • size: 500mg, 10mg, 5mg, 25mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

3-keto-Digoxigenin is a member of cardenolides.

Source: ChEBI

Identity
Molecular formulaC23H32O5
Molecular weight388.5 g/mol
IUPAC name3-[(5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChIKeyPOWMMMXVDBMFMP-QPMAGJLNSA-N
SMILESC[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O

Computed by PubChem (NCBI)

Synonyms: 3-keto-digoxigenin, 3-Ketodigoxigenin, 3-Oxodigoxigenin, 3-Dehydrodigoxigenin
Isomers (same molecular formula)
[(1S,3S,7S,8S,8aR)-3-hydroxy-7-methyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate C23H32O5
(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid C23H32O5
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxo-5-phenylpentyl)cyclopentyl]hept-5-enoic acid C23H32O5
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid C23H32O5
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid C23H32O5
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid C23H32O5
[2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C23H32O5
[(6S,9R,13R)-6-hydroxy-13-methyl-16-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-17-en-6-yl]methyl acetate C23H32O5
[(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H32O5
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H32O5
[(2R,8R,9S,10R,13S,14S,17S)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H32O5
[(2R,8R,9S,10R,13S,14S,17R)-2-acetyloxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate C23H32O5