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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006579

2-[5-[(3S,3aR,6S,6aR)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

Formula: C40H42O13  |  Mol. Weight: 730.80 g/mol

IUPAC: 2-[5-[(3S,3aR,6S,6aR)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

Overview

Molecular Formula C40H42O13
Molecular Weight 730.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)C(CO)C(=O)C2=CC(=C(C=C2)O)OC)C3C4COC(C4CO3)C5=CC6=C(C(=C5)OC)OC(C6CO)C7=CC(=C(C=C7)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy