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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034596

[(1S,2R,3aR,4R,5S,6S,9R,10E,11aS)-3a,4,9-triacetyloxy-2,5,10-trimethyl-6-(2-methylprop-1-enyl)-7-oxo-2,3,4,5,6,8,9,11a-octahydro-1H-cyclopenta[10]annulen-1-yl] benzoate

Formula: C33H42O9  |  Mol. Weight: 582.70 g/mol

IUPAC: [(1S,2R,3aR,4R,5S,6S,9R,10E,11aS)-3a,4,9-triacetyloxy-2,5,10-trimethyl-6-(2-methylprop-1-enyl)-7-oxo-2,3,4,5,6,8,9,11a-octahydro-1H-cyclopenta[10]annulen-1-yl] benzoate

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Overview

Molecular Formula C33H42O9
Molecular Weight 582.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C(C2OC(=O)C)C)C=C(C)C)OC(=O)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy