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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028257

[(3aR,4R,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

Formula: C25H30O9  |  Mol. Weight: 474.50 g/mol

IUPAC: [(3aR,4R,6aR,9S,9aR,9bR)-9-methyl-3,6-dimethylidene-2,8-dioxo-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-4-hydroxy-2-methylbut-2-enoyl]oxymethyl]but-2-enoate

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Overview

Molecular Formula C25H30O9
Molecular Weight 474.50 g/mol
Canonical SMILES CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)OC(=O)C(=CCO)COC(=O)C(=CCO)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy