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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031185

[(1R,3S,6S,8S,10R)-3-methyl-5-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

Formula: C23H28O11  |  Mol. Weight: 480.50 g/mol

IUPAC: [(1R,3S,6S,8S,10R)-3-methyl-5-oxo-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,9-dioxatricyclo[4.3.1.03,8]decan-10-yl]methyl benzoate

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Overview

Molecular Formula C23H28O11
Molecular Weight 480.50 g/mol
Canonical SMILES CC12CC(=O)C3CC1(OC(C3COC(=O)C4=CC=CC=C4)O2)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy