NEOPETASOL
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 155498
Name
NEOPETASOL
IUPAC name
(3R,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
SMILES
C[C@H]1[C@@H](CCC2=CC(=O)[C@H](C[C@]12C)C(=C)C)O
Molecular formula
C15H22O2
Molecular weight
234.34 g/mol
Monoisotopic mass
234.1620 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus | leaf | - |
Wichtl, M. 1984. Teedrogen. Ein Handbuch fur Apotheker und Arzte. Wissenschaftliche Verlagsgesellscharft. mbH Stuttgart. 393 pp.
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