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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030646

[(E)-4-[[(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]oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] 2-hydroxy-3-methylpentanoate

Formula: C26H36O9  |  Mol. Weight: 492.60 g/mol

IUPAC: [(E)-4-[[(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]oxy]-3-(hydroxymethyl)-4-oxobut-2-enyl] 2-hydroxy-3-methylpentanoate

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Overview

Molecular Formula C26H36O9
Molecular Weight 492.60 g/mol
Canonical SMILES CCC(C)C(C(=O)OCC=C(CO)C(=O)OC1CC(=CCC(C(=CC2C1C(=C)C(=O)O2)C)O)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy