PETASITOLONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5320506
Name
PETASITOLONE
IUPAC name
(4aR,5S,8aR)-3-(2-hydroxypropan-2-yl)-4a,5-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one
SMILES
C[C@H]1CCC[C@H]2[C@@]1(C=C(C(=O)C2)C(C)(C)O)C
Molecular formula
C15H24O2
Molecular weight
236.36 g/mol
Monoisotopic mass
236.1776 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Arctium lappa L. | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|