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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP038132

[(1S,4R,5S,8R,9R,12S,13R,14S,18R,21R)-5,21-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate

Formula: C28H36O9  |  Mol. Weight: 516.60 g/mol

IUPAC: [(1S,4R,5S,8R,9R,12S,13R,14S,18R,21R)-5,21-dihydroxy-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-13-yl]methyl acetate

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Overview

Molecular Formula C28H36O9
Molecular Weight 516.60 g/mol
Canonical SMILES CC(=O)OCC12C3CCC4(C(CCC4(C3CCC15CC6C(C2OC(O6)(O5)C)O)O)C7=COC(=O)C=C7)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy