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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP039086

[(1S,4S,5S,6R,9S,10R,12S,14R)-4-[(2R)-2,3-dimethylbutanoyl]oxy-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] octanoate

Formula: C34H52O8  |  Mol. Weight: 588.80 g/mol

IUPAC: [(1S,4S,5S,6R,9S,10R,12S,14R)-4-[(2R)-2,3-dimethylbutanoyl]oxy-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] octanoate

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Overview

Molecular Formula C34H52O8
Molecular Weight 588.80 g/mol
Canonical SMILES CCCCCCCC(=O)OC12CC(C34C=C(C(C3(C(C(=CC(C1C2(C)C)C4=O)CO)O)O)OC(=O)C(C)C(C)C)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy