Products 16479-50-8

CAS 16479-50-8 is the registry number for Des-(2-Methyl-6-tetrahydro-pyran-3,4-diol) Digitoxin, >95% (HPLC). Offered by: TRC. Available pack sizes: 2,5mg, 5mg.

Des-(2-Methyl-6-tetrahydro-pyran-3,4-diol) Digitoxin, >95% (HPLC)
TRC
  • size: 2,5mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-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]-2H-furan-5-one (CAS 16479-50-8) is a chemical compound with the molecular formula C35H54O10 and a molecular weight of 634.8 g/mol. IUPAC name: 3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-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]-2H-furan-5-one. InChIKey: CERUVRSAHAFOLZ-OHASGAGQSA-N.

Identity
Molecular formulaC35H54O10
Molecular weight634.8 g/mol
IUPAC name3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-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]-2H-furan-5-one
InChIKeyCERUVRSAHAFOLZ-OHASGAGQSA-N
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@H]3CC[C@]4([C@H](C3)CC[C@@H]5[C@@H]4CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)C)C)O)O

Computed by PubChem (NCBI)

Synonyms: Digitoxigenin bisdigitoxoside, DT-BIS(DT), Digitoxigenin-bis(digitoxoside)
Isomers (same molecular formula)
(1S,3R,6S,8R,12R,15R,16R,18S)-15-[(2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl]-18-hydroxy-7,7,12,16-tetramethyl-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-en-14-one C35H54O10