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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019338

Isovanillyl Catapol

Formula: C23H28O13  |  Mol. Weight: 512.50 g/mol

IUPAC: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 3-hydroxy-4-methoxybenzoate

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Overview

Molecular Formula C23H28O13
Molecular Weight 512.50 g/mol
Canonical SMILES COC1=C(C=C(C=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy