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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001684

[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate

Formula: C38H42O9  |  Mol. Weight: 642.70 g/mol

IUPAC: [(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate

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Overview

Molecular Formula C38H42O9
Molecular Weight 642.70 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C(=C)C(CC4C(C4(C)C)C=C(C2=O)C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy