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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026096

[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R)-2,7,16-triacetyloxy-8-benzoyloxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] pyridine-3-carboxylate

Formula: C43H51NO13  |  Mol. Weight: 789.90 g/mol

IUPAC: [(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,13S,15R)-2,7,16-triacetyloxy-8-benzoyloxy-5,9,12,12-tetramethyl-4-(2-methylpropanoyloxy)-17-oxapentacyclo[7.6.2.01,10.03,7.011,13]heptadecan-15-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C43H51NO13
Molecular Weight 789.90 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C(C)C)C(C34C(CC5C(C3C(C2OC(=O)C6=CC=CC=C6)(OC4OC(=O)C)C)C5(C)C)OC(=O)C7=CN=CC=C7)OC(=O)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy