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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004646

[(1R,4S,5R,6S,7R,8S,9S)-4,5-dihydroxy-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-6-yl] 4-hydroxybenzoate

Formula: C22H28O13  |  Mol. Weight: 500.40 g/mol

IUPAC: [(1R,4S,5R,6S,7R,8S,9S)-4,5-dihydroxy-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,10-dioxatricyclo[5.3.1.04,8]undecan-6-yl] 4-hydroxybenzoate

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Overview

Molecular Formula C22H28O13
Molecular Weight 500.40 g/mol
Canonical SMILES C1C2C3C(OC1OCC3(C(C2OC(=O)C4=CC=C(C=C4)O)O)O)OC5C(C(C(C(O5)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy