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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP007371

Castavinol

Formula: C26H30O13  |  Mol. Weight: 550.50 g/mol

IUPAC: 1-[(1S,9S,12R)-3,5-dihydroxy-9-(4-hydroxy-3-methoxyphenyl)-11-methyl-12-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8,10-dioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-11-yl]ethanone

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Overview

Molecular Formula C26H30O13
Molecular Weight 550.50 g/mol
Canonical SMILES CC(=O)C1(C2C(C(O1)(OC3=CC(=CC(=C23)O)O)C4=CC(=C(C=C4)O)OC)OC5C(C(C(C(O5)CO)O)O)O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy