Products 4427-85-4

CAS 4427-85-4 is the registry number for 20,22-Dihydro-digitoxigenin, >95% (HPLC). Offered by: TRC. Available pack sizes: 25mg, 50mg, 5mg.

20,22-Dihydro-digitoxigenin, >95% (HPLC)
TRC
  • size: 25mg, 50mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one (CAS 4427-85-4) is a chemical compound with the molecular formula C23H36O4 and a molecular weight of 376.5 g/mol. IUPAC name: (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one. InChIKey: CIQHGVTXALCNSM-ROIXOECXSA-N.

Identity
Molecular formulaC23H36O4
Molecular weight376.5 g/mol
IUPAC name(4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one
InChIKeyCIQHGVTXALCNSM-ROIXOECXSA-N
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4[C@H]5CC(=O)OC5)O)C)O

Computed by PubChem (NCBI)

Synonyms: 20,22-Dihydrodigitoxigenin, Cardanolide, 3,14-dihydroxy-, (3beta,5beta)-, 20,22-Dihydro-digitoxigenin, Dihydrodigitoxigenin, (5beta)-3beta,14-Dihydroxycardanolide, 3beta,14-Dihydroxy-5beta-cardanolide, 3,14-Dihydroxycardanolide, Cardanolide, 3,14-dihydroxy-, (3-beta,5-beta)-, 5-beta-Cardanolide, 3-beta,14-dihydroxy-
Isomers (same molecular formula)
16-oxo-16-phenylmethoxyhexadecanoic acid C23H36O4
(3aS,5aS,6R,9aR,9bS)-3a-methyl-6-[2-(2,5,5-trimethyl-1,3-dioxan-2-yl)ethyl]-1,2,4,5,5a,6,8,9,9a,9b-decahydrocyclopenta[a]naphthalene-3,7-dione C23H36O4
[(3S,8R,9S,10R,13S,14S,17S)-3,7-dihydroxy-7,10,13,17-tetramethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate C23H36O4
(1R,2S,3S,5S,6S,7S,10S,11R,14S,16R)-6-(3-hydroxypropyl)-7,11-dimethylpentacyclo[8.8.0.02,7.03,5.011,16]octadec-17-ene-6,14,16-triol C23H36O4
[(3R,5R,8R,9S,10S,13S,14S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C23H36O4
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate C23H36O4
(3S,4S)-3-decyl-4-[2-(3,4-dimethoxyphenyl)ethyl]oxetan-2-one C23H36O4