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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000443

Dicerandrol B

Formula: C36H36O15  |  Mol. Weight: 708.70 g/mol

IUPAC: [(3R,4R,4aR)-7-[(5R,6R,10aR)-5-acetyloxy-1,9-dihydroxy-10a-(hydroxymethyl)-6-methyl-8-oxo-6,7-dihydro-5H-xanthen-2-yl]-4-acetyloxy-8,9-dihydroxy-3-methyl-1-oxo-3,4-dihydro-2H-xanthen-4a-yl]methyl acetate

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Overview

Molecular Formula C36H36O15
Molecular Weight 708.70 g/mol
Canonical SMILES CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)OC(=O)C)COC(=O)C)O)OC2(C1OC(=O)C)CO)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy