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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014245

[(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-6-(acetyloxymethyl)-7,12-dibenzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] pyridine-3-carboxylate

Formula: C39H41NO12  |  Mol. Weight: 715.70 g/mol

IUPAC: [(1S,2S,4S,5R,6R,7S,9R,12R)-5-acetyloxy-6-(acetyloxymethyl)-7,12-dibenzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-4-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C39H41NO12
Molecular Weight 715.70 g/mol
Canonical SMILES CC(=O)OCC12C(CC3C(C1(C(CC(C2OC(=O)C)OC(=O)C4=CN=CC=C4)(C)O)OC3(C)C)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy