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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP019781

Butyl chlorogenate

Formula: C20H26O9  |  Mol. Weight: 410.40 g/mol

IUPAC: butyl (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate

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Overview

Molecular Formula C20H26O9
Molecular Weight 410.40 g/mol
Canonical SMILES CCCCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy