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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008247

[(1R,2R,5S,6S,9S,11R,12S,13S,14R,17R,18R,20S,21R)-18-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.02,12.05,11.09,11.017,21]henicosan-20-yl] (E)-2-methylbut-2-enoate

Formula: C33H42O10  |  Mol. Weight: 598.70 g/mol

IUPAC: [(1R,2R,5S,6S,9S,11R,12S,13S,14R,17R,18R,20S,21R)-18-acetyloxy-6-(furan-3-yl)-13-hydroxy-1,5,12,17-tetramethyl-8-oxo-7,10,15-trioxahexacyclo[12.6.1.02,12.05,11.09,11.017,21]henicosan-20-yl] (E)-2-methylbut-2-enoate

Overview

Molecular Formula C33H42O10
Molecular Weight 598.70 g/mol
Canonical SMILES CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4CCC5(C(OC(=O)C6C5(C4(C3O)C)O6)C7=COC=C7)C)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy