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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003272

Gambogoic acid A

Formula: C39H48O9  |  Mol. Weight: 660.80 g/mol

IUPAC: (Z)-4-[(1S,2S,8R,15S,16S,17S,19R)-12-hydroxy-16-methoxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

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Overview

Molecular Formula C39H48O9
Molecular Weight 660.80 g/mol
Canonical SMILES CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C(C4C3=O)OC)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy