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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030645

[(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate

Formula: C25H34O9  |  Mol. Weight: 478.50 g/mol

IUPAC: [(3aR,4R,6E,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-(hydroxymethyl)-4-(2-hydroxy-3-methylbutanoyl)oxybut-2-enoate

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Overview

Molecular Formula C25H34O9
Molecular Weight 478.50 g/mol
Canonical SMILES CC1=CCC(C(=CC2C(C(C1)OC(=O)C(=CCOC(=O)C(C(C)C)O)CO)C(=C)C(=O)O2)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy