Chemical Compound

Klysimplexin I

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Klysimplexin I chemical structure
Primary Record

Klysimplexin I

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
51032342
SMILES
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]([C@H]2[C@@H]3[C@H](CC[C@@]([C@@H]3[C@H](O2)C[C@]1(C)O)(C)OC(=O)C)C(C)C)(C)OC(=O)CCC
Canonical SMILES
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H](C[C@]1(C)O)[C@@H]1[C@H]2[C@@H](C(C)C)CC[C@@]1(C)OC(C)=O

Names & Synonyms

  • Klysimplexin I
  • J2.920.815H
  • (1alpha,10alpha)-2beta,9beta-Epoxy-3beta,7alpha,11beta-trimethyl-3-(butanoyloxy)-6alpha-(tetradecanoyloxy)-7-hydroxy-11-acetoxy-14alpha-isopropylbicyclo[8.4.0]tetradecane
  • (1R,2R,3R,6R,7S,8R,10S,11S,14R)-6-(acetyloxy)-14-(butanoyloxy)-10-hydroxy-6,10,14-trimethyl-3-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-11-yl tetradecanoate