Products 1111-39-3

CAS 1111-39-3 appears in our catalog under these names: Digitoxin 3'''-Acetate, Acetyldigitoxin, Acetyldigitoxin, 92.58%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, MedChemExpress. Available pack sizes: on request, 10mg, 1mg, 500μg, 5mg, 1 mg.

Digitoxin 3'''-Acetate
Chemat Brand, TRC
  • size: on request, 10mg, 1mg
  • Variants: 3
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Acetyldigitoxin
TargetMol, GLPBio
  • size: 1mg, 500μg, 5mg
  • Variants: 4
from 1453.57
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Acetyldigitoxin, 92.58%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 3310.43
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Structural formula: {0} (CAS {1})

3'''-O-acetyldigitoxin is a cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end. It has a role as an enzyme inhibitor, an anti-arrhythmia drug and a cardiotonic drug. It is functionally related to a digitoxin.

Source: ChEBI

Identity
Molecular formulaC43H66O14
Molecular weight807.0 g/mol
IUPAC name[(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
InChIKeyHPMZBILYSWLILX-UMDUKNJSSA-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]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O

Computed by PubChem (NCBI)

Synonyms: acetyldigitoxin, alpha-Acetyldigitoxin, Desglucolanatoside A, Acylanid, Acetildigitoxina, Acetyldiginatin, Digitoxin 3'''-acetate, alpha-Monoacetyldigitoxin, Acetyldigitoxinum, Acetyl-digitoxin-alpha