DIGITOXIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 441207
Name
DIGITOXIN
IUPAC name
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-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
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
Molecular formula
C41H64O13
Molecular weight
764.95 g/mol
Monoisotopic mass
764.4347 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Digitalis lutea L. | - | - |
Hagimori, M., Matsumoto, T., Kisaki, T. (1980). Studies on the production of Digitalis cardenolides by plant tissue culture. I. determination of digitoxin and digoxin contents in first and second passage calli and organ redifferentiating calli of several Digitalis species by radioimmunoassay. Plant Cell Physiol, 21, 1391-1404 doi:10.1093/pcp/21.8.1391
|
| Digitalis lutea L. | leaf | - |
Wichtl, M., Wichtl-bleier, W., Mangkudidjojo, M. (1982). High-performance liquid chromatography analysis of Digitalis leaf extract. J Chromatogr, 247, 359-365
|