CIS-2-METHYL-2-BUTYENYLNEOPETASYL-ESTER

Structure

2D structure of CIS-2-METHYL-2-BUTYENYLNEOPETASYL-ESTER
2D structure
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3D model

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

Names and identifiers

Name

CIS-2-METHYL-2-BUTYENYLNEOPETASYL-ESTER

IUPAC name

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

SMILES

C[C@H]1[C@@H](CCC2=CC(=O)[C@](C[C@]12C)(C(=C)C)C)OC(\C(=C(/C)[H])[H])=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 - -
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.