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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021929

Ingenol 20-palmitate

Formula: C36H58O6  |  Mol. Weight: 586.80 g/mol

IUPAC: [(1S,4S,5R,6R,9S,10R,12R,14R)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl hexadecanoate

Overview

Molecular Formula C36H58O6
Molecular Weight 586.80 g/mol
Canonical SMILES CCCCCCCCCCCCCCCC(=O)OCC1=CC2C3C(C3(C)C)CC(C4(C2=O)C=C(C(C4(C1O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy