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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001625

(1S,4R,5R,11R,12R,15R,16R,22S)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol

Formula: C56H42O12  |  Mol. Weight: 906.90 g/mol

IUPAC: (1S,4R,5R,11R,12R,15R,16R,22S)-4,15-bis(3,5-dihydroxyphenyl)-5,11,16,22-tetrakis(4-hydroxyphenyl)-6,17-dioxahexacyclo[10.9.1.02,10.03,7.013,21.014,18]docosa-2(10),3(7),8,13(21),14(18),19-hexaene-9,20-diol

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Overview

Molecular Formula C56H42O12
Molecular Weight 906.90 g/mol
Canonical SMILES C1=CC(=CC=C1C2C3C(C4=C(C2C5=C3C6=C(C=C5O)OC(C6C7=CC(=CC(=C7)O)O)C8=CC=C(C=C8)O)C9=C(C=C4O)OC(C9C1=CC(=CC(=C1)O)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy