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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP010362

Epicatechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-catechin

Formula: C45H36O18  |  Mol. Weight: 864.80 g/mol

IUPAC: (1R,5R,6S,13R,21R)-5,13-bis(3,4-dihydroxyphenyl)-16-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol

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Overview

Molecular Formula C45H36O18
Molecular Weight 864.80 g/mol
Canonical SMILES C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C(C(=CC(=C45)O)O)C6C(C(OC7=CC(=CC(=C67)O)O)C8=CC(=C(C=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy