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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028416

(5S,6aS,7R,8R,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

Formula: C26H36O10  |  Mol. Weight: 508.60 g/mol

IUPAC: (5S,6aS,7R,8R,10aS)-7,8-dimethyl-7-[2-(5-oxo-2H-furan-3-yl)ethyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one

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Overview

Molecular Formula C26H36O10
Molecular Weight 508.60 g/mol
Canonical SMILES CC1CCC23COC(=O)C2=CC(CC3C1(C)CCC4=CC(=O)OC4)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy