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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037145

19'-Hexanoyloxyisomytiloxanthin

Formula: C46H64O6  |  Mol. Weight: 713.00 g/mol

IUPAC: [(2Z,4E,6E,8E,10E,12E,14E)-2-[2-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]ethynyl]-17-[(1R,6R)-1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl]-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaenyl] hexanoate

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Overview

Molecular Formula C46H64O6
Molecular Weight 713.00 g/mol
Canonical SMILES CCCCCC(=O)OCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC1(C(CC(=O)CC1(C)C)C)O)C)C#CC2=C(CC(CC2(C)C)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy