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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP002134

[(1S,2R,3S,5S,6S,8R,10S,11S,12R,14R,15S,16R,19S,21R)-6-(furan-3-yl)-3,12,16,19-tetrahydroxy-5,11,15-trimethyl-4-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

Formula: C28H36O10  |  Mol. Weight: 532.60 g/mol

IUPAC: [(1S,2R,3S,5S,6S,8R,10S,11S,12R,14R,15S,16R,19S,21R)-6-(furan-3-yl)-3,12,16,19-tetrahydroxy-5,11,15-trimethyl-4-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate

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Overview

Molecular Formula C28H36O10
Molecular Weight 532.60 g/mol
Canonical SMILES CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(C(=O)C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy