HELLEBRIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10439890
Name
HELLEBRIN
IUPAC name
(3S,5S,9S,10S,13R,14S,17R)-3-(((2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)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(C4CC[C@@]3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
Molecular formula
C36H52O15
Molecular weight
724.80 g/mol
Monoisotopic mass
724.3306 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Helleborus foetidus L. subsp. foetidus | root | - |
Wifsner, W. (1973). 14-hydroxy-3-oxo-1,4,20,22-bufatetraenolide, a new compound from underground organs of Helleborus species. Planta Med, 24, 201-210
|