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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026026

[(1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-diacetyloxy-2-benzoyloxy-7-hydroxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-8-oxo-1-tetracyclo[8.5.0.03,7.011,13]pentadecanyl]methyl pyridine-3-carboxylate

Formula: C41H49NO12  |  Mol. Weight: 747.80 g/mol

IUPAC: [(1R,2R,3R,4S,5S,7R,9S,10R,11S,13S,15R)-9,15-diacetyloxy-2-benzoyloxy-7-hydroxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-8-oxo-1-tetracyclo[8.5.0.03,7.011,13]pentadecanyl]methyl pyridine-3-carboxylate

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Overview

Molecular Formula C41H49NO12
Molecular Weight 747.80 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C(C)C)C(C3(C(CC4C(C3C(C2=O)(C)OC(=O)C)C4(C)C)OC(=O)C)COC(=O)C5=CN=CC=C5)OC(=O)C6=CC=CC=C6)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy