NEO-S-PETASIN

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 91800184

NEO-S-PETASIN

(1R,2R,7R,8aR)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl (Z)-3-(methylthio)acrylate

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

C₁₉H₂₆O₃S

334.48 g/mol

334.1603 Da

Pathway:

Superclass:

Class:

Glycoside:

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

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

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