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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP003273

Gambogic acid B

Formula: C40H50O9  |  Mol. Weight: 674.80 g/mol

IUPAC: (Z)-4-[(1S,2S,8R,15S,16S,17S,19R)-16-ethoxy-12-hydroxy-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 C40H50O9
Molecular Weight 674.80 g/mol
Canonical SMILES CCOC1C2CC3C(OC(C2=O)(C34C1C(=O)C5=C(O4)C(=C6C(=C5O)C=CC(O6)(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C(=O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy