TRANS-3-(METHYL-THIO)-ACRYLOYL-NEOPETASOL
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Name
TRANS-3-(METHYL-THIO)-ACRYLOYL-NEOPETASOL
IUPAC name
(1R,2R,7R,8aS)-8-(mercaptomethyl)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,6,7,8,8a-octahydronaphthalen-2-yl acrylate
SMILES
C[C@H]1[C@@H](CCC2=CC(=O)[C@H](C([C@]12C)CS)C(=C)C)OC(C=C)=O
Molecular formula
C19H26O3S
Molecular weight
334.48 g/mol
Monoisotopic mass
334.1603 Da
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.
|