DIGITALINUM VERUM
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 3035155
Name
DIGITALINUM VERUM
IUPAC name
(2R,3S,4S,6R)-6-(((2R,3R,4S,6S)-4-(((2R,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-(((3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate
SMILES
C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@H]2C[C@H](O[C@@H]([C@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)OC(=O)C)O)C)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7(C6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)O)O
Molecular formula
C43H66O14
Molecular weight
806.99 g/mol
Monoisotopic mass
806.4453 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| 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
|