ISOPETASOL

Structure

2D structure of ISOPETASOL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11746594

Names and identifiers

Name

ISOPETASOL

IUPAC name

(4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one

SMILES

C[C@H]1[C@@H](CCC2=CC(=O)C(=C(C)C)C[C@]12C)O

General information

Molecular formula

C15H22O2

Molecular weight

234.34 g/mol

Monoisotopic mass

234.1620 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

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.