SINUATOL
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21591416
Name
SINUATOL
IUPAC name
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(((1S,4aR,5S,7aS)-7-(hydroxymethyl)-5-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C=C([C@@H]3[C@H]2C=CO[C@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O)O)O
Molecular formula
C21H32O13
Molecular weight
492.47 g/mol
Monoisotopic mass
492.1843 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Verbascum blattaria L. | - | - |
Grabias, B., Swiatek, L. (1987). Iridoid glucosides in Verbascum genus. Herba Pol, 33(4), 225-232
|