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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008429

[(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(3-hydroxybutanoyloxy)propyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] 3-hydroxybutanoate

Formula: C38H42O14  |  Mol. Weight: 722.70 g/mol

IUPAC: [(2R)-1-[3,10-dihydroxy-12-[(2R)-2-(3-hydroxybutanoyloxy)propyl]-2,6,7,11-tetramethoxy-4,9-dioxoperylen-1-yl]propan-2-yl] 3-hydroxybutanoate

Overview

Molecular Formula C38H42O14
Molecular Weight 722.70 g/mol
Canonical SMILES CC(CC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CC(C)OC(=O)CC(C)O)OC(=O)CC(C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy