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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP006870

[(1S,5R,8R,9S,10R,11S,13R,14S,16S,17R,18S,19S)-13-acetyloxy-10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate

Formula: C29H31NO6  |  Mol. Weight: 489.60 g/mol

IUPAC: [(1S,5R,8R,9S,10R,11S,13R,14S,16S,17R,18S,19S)-13-acetyloxy-10-hydroxy-5-methyl-12-methylidene-3-oxo-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-19-yl] benzoate

Overview

Molecular Formula C29H31NO6
Molecular Weight 489.60 g/mol
Canonical SMILES CC(=O)OC1C(=C)C2C(C3C14CC5C6C7(CC(=O)CC6(C4C2OC(=O)C8=CC=CC=C8)C3N5C7)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy