ARCTINOL-B
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 73425494
Name
ARCTINOL-B
IUPAC name
(3R,4R)-3-(3-(1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl)-4-hydroxy-5-methoxybenzyl)-4-(((2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl)methyl)dihydrofuran-2(3H)-one
SMILES
COC1=CC(=CC(=C1O)C(CO)C(C2=CC(=C(C=C2)O)OC)O)C[C@@H]3[C@H](COC3=O)CC4=CC5=C(C(=C4)OC)O[C@@H]([C@H]5CO)C6=CC(=C(C=C6)O)OC
Molecular formula
C40H44O13
Molecular weight
732.78 g/mol
Monoisotopic mass
732.2782 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arctium lappa L. | root | 0 ppm |
Jim Duke's personal files.
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