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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026164

[(1S,6S,7S,7aS)-6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

Formula: C22H31ClO8  |  Mol. Weight: 458.90 g/mol

IUPAC: [(1S,6S,7S,7aS)-6-acetyloxy-7-(chloromethyl)-7-hydroxy-1-(3-methylbutanoyloxy)-6,7a-dihydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate

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Overview

Molecular Formula C22H31ClO8
Molecular Weight 458.90 g/mol
Canonical SMILES CC(C)CC(=O)OCC1=COC(C2C1=CC(C2(CCl)O)OC(=O)C)OC(=O)CC(C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy