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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP032142

[(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

Formula: C25H30O8  |  Mol. Weight: 458.50 g/mol

IUPAC: [(3aR,4R,6aR,9aR,9bR)-9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate

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Overview

Molecular Formula C25H30O8
Molecular Weight 458.50 g/mol
Canonical SMILES CC=C(CO)C(=O)OCC(=CCO)C(=O)OC1CC(=C)C2CC=C(C2C3C1C(=C)C(=O)O3)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy