CONVALLOTOXIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 441852
Name
CONVALLOTOXIN
IUPAC name
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-13-methyl-17-(5-oxo-2,5-dihydrofuran-3-yl)-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O
Molecular formula
C29H42O10
Molecular weight
550.65 g/mol
Monoisotopic mass
550.2778 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ornithogalum divergens Boreau | bulb | 400 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|