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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035409

[(1R,3R,4R,6R,8S,9S,10S,12R,13S,14S,15S)-1,10,14-triacetyloxy-9-benzoyloxy-12-hydroxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate

Formula: C39H45NO13  |  Mol. Weight: 735.80 g/mol

IUPAC: [(1R,3R,4R,6R,8S,9S,10S,12R,13S,14S,15S)-1,10,14-triacetyloxy-9-benzoyloxy-12-hydroxy-3,7,7,15-tetramethyl-11-methylidene-2-oxo-5-oxatricyclo[11.3.0.04,6]hexadecan-8-yl] pyridine-3-carboxylate

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Overview

Molecular Formula C39H45NO13
Molecular Weight 735.80 g/mol
Canonical SMILES CC1CC2(C(C1OC(=O)C)C(C(=C)C(C(C(C(C3C(O3)C(C2=O)C)(C)C)OC(=O)C4=CN=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C)O)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy