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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036617

Isodonoic acid

Formula: C22H28O8  |  Mol. Weight: 420.50 g/mol

IUPAC: (1S,1'R,3'S,5S,6S,7S,9S)-3'-acetyloxy-7-hydroxy-6',6'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-carboxylic acid

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Overview

Molecular Formula C22H28O8
Molecular Weight 420.50 g/mol
Canonical SMILES CC(=O)OC1CCC(C(C12COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)C(=O)O)(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy