Products 71-63-6
CAS 71-63-6 appears in our catalog under these names: Digitoxin (Digoxin EP Impurity A) , Digitoxin, >95% (HPLC), Digitoxin, Digitoxin 100 µg/mL in Acetonitrile, Digitoxin/ 98.87% (existing batch purity). Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, TargetMol, Biosynth. Available pack sizes: on request, 100mg, 25mg, 50mg, 1ml, 5mg, 10mg, 0,25g.
Digitoxin is a cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(14)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(14)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. It has a role as an EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor. It is functionally related to a digitoxigenin. It is a conjugate acid of a digitoxin(1-).
Source: ChEBI
| Molecular formula | C41H64O13 |
|---|---|
| Molecular weight | 764.9 g/mol |
| IUPAC name | 3-[(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]-2H-furan-5-one |
| InChIKey | WDJUZGPOPHTGOT-XUDUSOBPSA-N |
| SMILES | C[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)O)O |
Computed by PubChem (NCBI)
Synonyms:
digitoxin, Digitoxoside, Crystodigin, Carditoxin, Cristapurat, Digitophyllin, Digitoxinum, Unidigin, Cardigin, Digitoksin