ISOPULEGOLE-ACETATE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 94579
Name
ISOPULEGOLE-ACETATE
IUPAC name
(1R,2S,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl acetate
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C)C(=C)C
Molecular formula
C12H20O2
Molecular weight
196.29 g/mol
Monoisotopic mass
196.1463 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Agrimonia eupatoria L. subsp. eupatoria | leaf, essential oil | - |
Jim Duke's personal files.
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