S-PETASITOLIDE

Structure

2D structure of S-PETASITOLIDE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 154497389

Names and identifiers

Name

S-PETASITOLIDE

IUPAC name

(4aR,5R,6R,8aS,9aS)-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl (E)-3-(methylthio)acrylate

SMILES

C1[C@H]([C@@H]([C@]2([C@@H](C1)C[C@H]1C(=C(C(=O)O1)C)C2)C)C)OC(=O)/C=C/SC

General information

Molecular formula

C19H26O4S

Molecular weight

350.48 g/mol

Monoisotopic mass

350.1552 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 rhizome -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.