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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030077

[(1S,3S,4R,4aR,7R,8R,8aS)-3,7-dihydroxy-8-methoxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate

Formula: C28H36O7  |  Mol. Weight: 484.60 g/mol

IUPAC: [(1S,3S,4R,4aR,7R,8R,8aS)-3,7-dihydroxy-8-methoxy-3,4,8,8a-tetramethyl-4-[(E)-2-(5-oxo-2H-furan-3-yl)ethenyl]-1,2,4a,5,6,7-hexahydronaphthalen-1-yl] benzoate

Overview

Molecular Formula C28H36O7
Molecular Weight 484.60 g/mol
Canonical SMILES CC1(CC(C2(C(C1(C)C=CC3=CC(=O)OC3)CCC(C2(C)OC)O)C)OC(=O)C4=CC=CC=C4)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy