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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010213

Peucedanocoumarin III

Formula: C21H22O7  |  Mol. Weight: 386.40 g/mol

IUPAC: [(9S,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (E)-2-methylbut-2-enoate

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Overview

Molecular Formula C21H22O7
Molecular Weight 386.40 g/mol
Canonical SMILES CC=C(C)C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy