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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031132

(2R,4S,4aS,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,4,5-triol

Formula: C29H36O6  |  Mol. Weight: 480.60 g/mol

IUPAC: (2R,4S,4aS,9aR)-7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,4,5-triol

Overview

Molecular Formula C29H36O6
Molecular Weight 480.60 g/mol
Canonical SMILES CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)O)OC4(C(CC(C(C4C3)(C)C)O)O)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy