3-Ketodigoxigenin

cas: 4442-17-5 — see every product listed under this CAS number, including other names

3-Ketodigoxigenin (CAS 4442-17-5) is a chemical reagent available from Chemat. Available pack sizes: 500mg, 10mg, 5mg, 25mg, 50mg, 100mg. Offered by: TRC, Biosynth.

brandTRC
catalog numberTRC-K188520-500MG
cas4442-17-5
size500mg
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Available pack sizes

brand size price
TRC 500mg price on request
Biosynth 10mg price on request
Biosynth 5mg price on request
Biosynth 25mg price on request
Biosynth 50mg price on request
Biosynth 100mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
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