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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000941

[(1R,2R,4S,7S,8R,9R,10R,12S,16S,21R)-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] 3-methylbutanoate

Formula: C31H38O10  |  Mol. Weight: 570.60 g/mol

IUPAC: [(1R,2R,4S,7S,8R,9R,10R,12S,16S,21R)-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] 3-methylbutanoate

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Overview

Molecular Formula C31H38O10
Molecular Weight 570.60 g/mol
Canonical SMILES CC(C)CC(=O)OC1C2C(C(=C)C3(C1(C(CC3=O)C4=COC=C4)C)O)C5(C6CC(=O)OCC6(OC(=O)CC5O2)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy