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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015995

[(1R,2S,3R,4S,5S,7S,9R,10R,13Z)-4,9-diacetyloxy-3-benzoyloxy-10-hydroxy-2,6,6,14-tetramethyl-11,16-dioxo-5-tricyclo[8.6.0.02,7]hexadec-13-enyl] benzoate

Formula: C38H42O11  |  Mol. Weight: 674.70 g/mol

IUPAC: [(1R,2S,3R,4S,5S,7S,9R,10R,13Z)-4,9-diacetyloxy-3-benzoyloxy-10-hydroxy-2,6,6,14-tetramethyl-11,16-dioxo-5-tricyclo[8.6.0.02,7]hexadec-13-enyl] benzoate

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Overview

Molecular Formula C38H42O11
Molecular Weight 674.70 g/mol
Canonical SMILES CC1=CCC(=O)C2(C(CC3C(C(C(C(C3(C2C(=O)C1)C)OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C5=CC=CC=C5)(C)C)OC(=O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy