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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006293

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

Formula: C29H36O7  |  Mol. Weight: 496.60 g/mol

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

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Overview

Molecular Formula C29H36O7
Molecular Weight 496.60 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)O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy