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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP037479

19,20-dehydroedulirin A

Formula: C36H38N2O9  |  Mol. Weight: 642.70 g/mol

IUPAC: N-[1-[(1R,12R,13S,14R,15S)-1,15-dihydroxy-3-methoxy-12-(4-methoxyphenyl)-13-phenyl-5,7,11-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-triene-14-carbonyl]pyrrolidin-2-yl]-3-methylbut-2-enamide

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Overview

Molecular Formula C36H38N2O9
Molecular Weight 642.70 g/mol
Canonical SMILES CC(=CC(=O)NC1CCCN1C(=O)C2C(C3(C(C2(C4=C(C5=C(C=C4O3)OCO5)OC)O)O)C6=CC=C(C=C6)OC)C7=CC=CC=C7)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy