ISO-S-PETASIN

Structure

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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 10088272

ISO-S-PETASIN

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

C1[C@]2(C(=CC(C1=C(C)C)=O)CC[C@H]([C@@H]2C)OC(\C(=C(/SC)[H])[H])=O)C

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.