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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP012161

alpha-Collatolic acid

Formula: C29H34O9  |  Mol. Weight: 526.60 g/mol

IUPAC: 3-hydroxy-9-methoxy-6-oxo-1,7-bis(2-oxoheptyl)benzo[b][1,4]benzodioxepine-2-carboxylic acid

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Overview

Molecular Formula C29H34O9
Molecular Weight 526.60 g/mol
Canonical SMILES CCCCCC(=O)CC1=C2C(=CC(=C1)OC)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy