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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011032

[(1R,3R)-3-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-6-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl] acetate

Formula: C43H68O15  |  Mol. Weight: 825.00 g/mol

IUPAC: [(1R,3R)-3-[(1S,3R,6S,8R,11R,12S,13R,15R,16R)-6-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]-1-[(2R)-3,3-dimethyloxiran-2-yl]butyl] acetate

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Overview

Molecular Formula C43H68O15
Molecular Weight 825.00 g/mol
Canonical SMILES CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)OC8C(C(C(C(O8)CO)O)O)O)O)C)C)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy