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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP034604

[(1S,2R,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate

Formula: C36H40O8  |  Mol. Weight: 600.70 g/mol

IUPAC: [(1S,2R,3aR,5R,6E,11R,12E,13aS)-3a-acetyloxy-1-benzoyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,5,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-11-yl] benzoate

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Overview

Molecular Formula C36H40O8
Molecular Weight 600.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C=C(C(CC(=O)C(C=CC(C2=O)C)(C)C)OC(=O)C4=CC=CC=C4)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy