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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP033240

[(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate

Formula: C21H30O6S  |  Mol. Weight: 410.50 g/mol

IUPAC: [(4S,4aS,5R,6S,8aR,9aR)-4,9a-dimethoxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-6-yl] (Z)-3-methylsulfanylprop-2-enoate

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Overview

Molecular Formula C21H30O6S
Molecular Weight 410.50 g/mol
Canonical SMILES CC1C(CCC2C1(C(C3=C(C(=O)OC3(C2)OC)C)OC)C)OC(=O)C=CSC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy