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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP025992

[(1S,2R,4R,6S,7S,8R,9R,12R)-9-acetyloxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate

Formula: C29H36O9  |  Mol. Weight: 528.60 g/mol

IUPAC: [(1S,2R,4R,6S,7S,8R,9R,12R)-9-acetyloxy-2,4,12-trihydroxy-2,6,14,14-tetramethyl-10-methylidene-3,13-dioxo-7-tricyclo[10.3.0.04,8]pentadecanyl] benzoate

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Overview

Molecular Formula C29H36O9
Molecular Weight 528.60 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C(=C)CC4(C(CC(C4=O)(C)C)C(C2=O)(C)O)O)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy