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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038274

1-[(1S,3R,3aS,4S,6R,6aS)-6-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-4-[4-(4-hydroxyphenyl)-2-oxobutyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-4-(4-hydroxyphenyl)butan-2-one

Formula: C39H40O9  |  Mol. Weight: 652.70 g/mol

IUPAC: 1-[(1S,3R,3aS,4S,6R,6aS)-6-(4-hydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-4-[4-(4-hydroxyphenyl)-2-oxobutyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-1-yl]-4-(4-hydroxyphenyl)butan-2-one

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Overview

Molecular Formula C39H40O9
Molecular Weight 652.70 g/mol
Canonical SMILES COC1=C(C=CC(=C1)C2C3C(OC(C3C(O2)CC(=O)CCC4=CC=C(C=C4)O)C5=CC=C(C=C5)O)CC(=O)CCC6=CC=C(C=C6)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy