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Digoxin, TRC
Specifications
Specifications
| Chemical Name or Material | Digoxin |
| CAS | 20830-75-5 |
| Purity Grade Notes | HPLC |
| Molecular Formula | C41 H64 O14 |
| Quantity | 1 g |
| Synonym | Digitoxin, 12β-hydroxy- (6CI), Digoxin (8CI), (3β,5β,12β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide, 12β-Hydroxydigitoxin, Cardigox, Cardiogoxin, Cardioxin, Cardixin, Cardoxin, Chloroformic digitalin, Coragoxine, Cordioxil, Davoxin, Digacin, Digicor, Digitek, Digomal, Digon, Digosin, Digoxin Nativelle, Digoxine, Dilanacin, Dixina, Dokim, Dynamos, Eudigox, Fargoxin, Grexin, Homolle's digitalin, Lanacordin, Lanacrist, Lanicor, Lanikor, Lanocardin, Lanorale, Lanoxicaps, Lanoxin, Lanoxin PG, Lenoxicaps, Lenoxin, Longdigox, Mapluxin, NSC 95100, Natigoxin, NeoDioxanin, Novodigal-Amp., Purgoxin, Rougoxin, Stillacor, Toloxin, Vanoxin |
| InChI Formula | InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 |
| SMILES | C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4)O[C@@H]3C)O[C@@H]2C |
| IUPAC Name | 3-[(3S,5R,8R,9S,10S,12R,13S,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-12,14-dihydroxy-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 |
| Molecular Weight (g/mol) | 780.94 |
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