Products 26970-68-3

CAS 26970-68-3 is the registry number for Digitoxin-d3. Offered by: MedChemExpress. Available pack sizes: 1 mg.

Structural formula: {0} (CAS {1})

3,5,5-trideuterio-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one (CAS 26970-68-3) is a chemical compound with the molecular formula C41H64O13 and a molecular weight of 768.0 g/mol. IUPAC name: 3,5,5-trideuterio-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one. InChIKey: WDJUZGPOPHTGOT-MLJJPVATSA-N.

Identity
Molecular formulaC41H64O13
Molecular weight768.0 g/mol
IUPAC name3,5,5-trideuterio-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one
InChIKeyWDJUZGPOPHTGOT-MLJJPVATSA-N
SMILES[2H]C1=C(C(OC1=O)([2H])[2H])[C@H]2CC[C@]3([C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)O)O)O)O)C)C)O

Computed by PubChem (NCBI)

Synonyms: Digitoxin-d3