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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP015212

[(1R,2R,4S,6R,9E,11S,12S)-11-benzoyloxy-12-(benzoyloxymethyl)-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl] pyridine-3-carboxylate

Formula: C40H43NO9  |  Mol. Weight: 681.80 g/mol

IUPAC: [(1R,2R,4S,6R,9E,11S,12S)-11-benzoyloxy-12-(benzoyloxymethyl)-15-(2-hydroperoxypropan-2-yl)-4,9-dimethyl-5-oxatricyclo[10.3.0.04,6]pentadeca-9,14-dien-2-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C40H43NO9
Molecular Weight 681.80 g/mol
Canonical SMILES CC1=CC(C2(CC=C(C2C(CC3(C(O3)CC1)C)OC(=O)C4=CN=CC=C4)C(C)(C)OO)COC(=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