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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002563

[(3aR,4R,6S,6aS,7R,9aR,9bR)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

Formula: C22H27ClO8  |  Mol. Weight: 454.90 g/mol

IUPAC: [(3aR,4R,6S,6aS,7R,9aR,9bR)-7-acetyloxy-6-(chloromethyl)-6-hydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-4-hydroxy-2-methylbut-2-enoate

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Overview

Molecular Formula C22H27ClO8
Molecular Weight 454.90 g/mol
Canonical SMILES CC1=CC(C2C1C3C(C(CC2(CCl)O)OC(=O)C(=CCO)C)C(=C)C(=O)O3)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy