Chemical Compound

Klysimplexin V

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Klysimplexin V chemical structure
Primary Record

Klysimplexin V

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
56931405
SMILES
CCCC(=O)O[C@@H]1C[C@@H](C(=C)C[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H]([C@H]([C@@]3(C)O)OC(=O)C)OC(=O)CCC)C(C)C)[C@H]([C@]1(C)O)O2)O
Canonical SMILES
C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]32)[C@](C)(O)[C@H](OC(=O)CCC)C[C@@H]1O

Names & Synonyms

  • Klysimplexin V
  • J2.994.658B
  • (1R,2R,3R,4S,5R,6S,7S,8R,11S,13R,14R)-5-(acetyloxy)-13-(butanoyloxy)-6,11,14-trihydroxy-6,14-dimethyl-10-methylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate
  • (1R,2S,7R,8R)-13-Methylene-3,9-dimethyl-4alpha-acetoxy-5beta,10alpha-bis(butyryloxy)-6alpha-isopropyl-15-oxatricyclo[6.6.1.02,7]pentadecane-3alpha,9alpha,12alpha-triol