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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023320

methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-[(Z)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-vinyloxy]-4-hydroxy-phenyl]prop-2-enoyl]oxy-propanoate

Formula: C29H26O12  |  Mol. Weight: 566.50 g/mol

IUPAC: methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-[(Z)-1-(3,4-dihydroxyphenyl)-3-methoxy-3-oxoprop-1-en-2-yl]oxy-4-hydroxyphenyl]prop-2-enoyl]oxypropanoate

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Overview

Molecular Formula C29H26O12
Molecular Weight 566.50 g/mol
Canonical SMILES COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)OC(=CC3=CC(=C(C=C3)O)O)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy