ARCTINOL-A
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Name
ARCTINOL-A
IUPAC name
(3R,4R)-4-((3-(1,3-dihydroxy-1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl)-4-hydroxy-5-methoxycyclohexyl)methyl)-3-(((2R,3R)-2-(4-hydroxy-3-methoxycyclohexyl)-3-(hydroxymethyl)-7-methoxyoctahydrobenzofuran-5-yl)methyl)dihydrofuran-2(3H)-one
SMILES
COC1CC(CCC1O)[C@@H]2[C@H](C3CC(CC(C3O2)OC)C[C@@H]4[C@H](COC4=O)CC5CC(C(C(C5)OC)O)C(CO)C(C6CCC(C(C6)OC)O)O)CO
Molecular formula
C40H68O13
Molecular weight
756.97 g/mol
Monoisotopic mass
756.4660 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.
|