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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP004075

[(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15S,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,18-dihydroxy-15-methoxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate

Formula: C31H40O11  |  Mol. Weight: 588.60 g/mol

IUPAC: [(1S,2S,4R,5S,6S,9S,10S,11R,13R,14S,15S,18S,20R)-4-acetyloxy-6-(furan-3-yl)-11,18-dihydroxy-15-methoxy-5,10,14-trimethyl-3,8-dioxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icosan-20-yl] acetate

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Overview

Molecular Formula C31H40O11
Molecular Weight 588.60 g/mol
Canonical SMILES CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C4C(=O)CC5C6=COC=C6)C)OC(=O)C)C)O)C)OC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy