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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038056

S-Petasin

Formula: C19H26O3S  |  Mol. Weight: 334.50 g/mol

IUPAC: [(1R,2R,7S,8aR)-1,8a-dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl] (Z)-3-methylsulfanylprop-2-enoate

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Overview

Molecular Formula C19H26O3S
Molecular Weight 334.50 g/mol
Canonical SMILES CC1C(CCC2=CC(=O)C(CC12C)C(=C)C)OC(=O)C=CSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy