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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017406

ethyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

Formula: C29H32O13  |  Mol. Weight: 588.60 g/mol

IUPAC: ethyl (1R,3R,4S,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4-dihydroxy-5-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

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Overview

Molecular Formula C29H32O13
Molecular Weight 588.60 g/mol
Canonical SMILES CCOC(=O)C1(CC(C(C(C1)OC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy