PETASITOLONE

Structure

2D structure of PETASITOLONE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5320506

Names and identifiers

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

General information

Molecular formula

C15H24O2

Molecular weight

236.36 g/mol

Monoisotopic mass

236.1776 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

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.