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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001846

2-O-Acetylzeylenone

Formula: C23H20O8  |  Mol. Weight: 424.40 g/mol

IUPAC: [(1S,5R,6S)-6-acetyloxy-5-benzoyloxy-1-hydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoate

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Overview

Molecular Formula C23H20O8
Molecular Weight 424.40 g/mol
Canonical SMILES CC(=O)OC1C(C=CC(=O)C1(COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy