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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031159

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,5S)-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-1-bicyclo[3.1.1]hept-2-enyl]oxy]oxan-2-yl]methyl benzoate

Formula: C23H28O9  |  Mol. Weight: 448.50 g/mol

IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1R,5S)-6-(hydroxymethyl)-2,6-dimethyl-4-oxo-1-bicyclo[3.1.1]hept-2-enyl]oxy]oxan-2-yl]methyl benzoate

Overview

Molecular Formula C23H28O9
Molecular Weight 448.50 g/mol
Canonical SMILES CC1=CC(=O)C2CC1(C2(C)CO)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy