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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000752

butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylate

Formula: C21H28O8  |  Mol. Weight: 408.40 g/mol

IUPAC: butyl (3R,5R)-1,3,5-trihydroxy-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]cyclohexane-1-carboxylate

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Overview

Molecular Formula C21H28O8
Molecular Weight 408.40 g/mol
Canonical SMILES CCCCOC(=O)C1(CC(C(C(C1)O)C(=O)C=CC2=CC(=C(C=C2)O)OC)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy