S-ISOPETASIN

Structure

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3D model

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S-ISOPETASIN

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

C(=C(C)C(=O)O[C@@H]2CCC1=CC(=O)C(=C(C)C)C[C@@]1([C@H]2C)C)SC

C₂₀H₂₈O₃S

348.51 g/mol

348.1759 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	root	-	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	root	-	Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.