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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP030630

methyl (1R,4aS,9S,9aS)-1-hydroxy-9-[2-(4-hydroxyphenyl)ethoxy]-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate

Formula: C19H22O8  |  Mol. Weight: 378.40 g/mol

IUPAC: methyl (1R,4aS,9S,9aS)-1-hydroxy-9-[2-(4-hydroxyphenyl)ethoxy]-6-oxo-1,4a,5,8,9,9a-hexahydropyrano[3,4-d]oxepine-4-carboxylate

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Overview

Molecular Formula C19H22O8
Molecular Weight 378.40 g/mol
Canonical SMILES COC(=O)C1=COC(C2C1CC(=O)OCC2OCCC3=CC=C(C=C3)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy