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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031344

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

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

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

Overview

Molecular Formula C23H28O9
Molecular Weight 448.50 g/mol
Canonical SMILES CC1=CC(=O)C2CC1(C2(C)COC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy