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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038992

[(1S,2E,4R,6S,8R,10R,11R,12S,13S)-10-acetyloxy-12-benzoyloxy-1-hydroxy-2,5,5,13-tetramethyl-9-methylidene-15-oxo-8-tricyclo[9.3.1.04,6]pentadec-2-enyl] benzoate

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

IUPAC: [(1S,2E,4R,6S,8R,10R,11R,12S,13S)-10-acetyloxy-12-benzoyloxy-1-hydroxy-2,5,5,13-tetramethyl-9-methylidene-15-oxo-8-tricyclo[9.3.1.04,6]pentadec-2-enyl] benzoate

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Overview

Molecular Formula C36H40O8
Molecular Weight 600.70 g/mol
Canonical SMILES CC1CC2(C(=CC3C(C3(C)C)CC(C(=C)C(C(C1OC(=O)C4=CC=CC=C4)C2=O)OC(=O)C)OC(=O)C5=CC=CC=C5)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy