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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016798

Bis-5,5-nortrachelogenin

Formula: C40H42O14  |  Mol. Weight: 746.80 g/mol

IUPAC: (3R,4R)-3-hydroxy-4-[[4-hydroxy-3-[2-hydroxy-5-[[(3R,4R)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxooxolan-3-yl]methyl]-3-methoxyphenyl]-5-methoxyphenyl]methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

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Overview

Molecular Formula C40H42O14
Molecular Weight 746.80 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)C2=C(C(=CC(=C2)CC3COC(=O)C3(CC4=CC(=C(C=C4)O)OC)O)OC)O)CC5COC(=O)C5(CC6=CC(=C(C=C6)O)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy