3-METHYL-CROTONOYLNEOPETASOL

Structure

2D structure of 3-METHYL-CROTONOYLNEOPETASOL
2D structure
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3D model

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

Names and identifiers

Name

3-METHYL-CROTONOYLNEOPETASOL

Also reported as

3-METHYL-CROTONYLPETASOL

IUPAC name

(1R,2R,8aR)-1,8,8a-trimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl (E)-but-2-enoate

SMILES

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

General information

Molecular formula

C20H28O3

Molecular weight

316.44 g/mol

Monoisotopic mass

316.2038 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.
Petasites hybridus (L.) G.Gaertn., B.Mey. & Scherb. subsp. hybridus root -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.