Chemical Compound

Klysimplexin M

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Klysimplexin M chemical structure
Primary Record

Klysimplexin M

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
51003451
SMILES
CCCC(=O)O[C@@H]1[C@H]([C@@H]([C@@H]2[C@H]([C@]1(C)O)[C@H]3CC(=C)[C@H](CC[C@@]([C@@H]2O3)(C)OC(=O)CCC)OO)C(C)C)OC(=O)C
Canonical SMILES
C=C1C[C@H]2O[C@H]([C@@H]3[C@@H](C(C)C)[C@H](OC(C)=O)[C@@H](OC(=O)CCC)[C@@](C)(O)[C@@H]32)[C@](C)(OC(=O)CCC)CC[C@@H]1OO

Names & Synonyms

  • Klysimplexin M
  • J2.920.819K
  • (1alpha,10alpha)-2beta,9beta-Epoxy-3beta,11beta-dimethyl-3,12alpha-bis(butanoyloxy)-6alpha-hydroperoxy-7-methylene-11-hydroxy-13beta-acetoxy-14alpha-isopropylbicyclo[8.4.0]tetradecane
  • (1R,2S,3S,4R,5S,6R,7R,8R,9R,12S)-5-(acetyloxy)-9-(butanoyloxy)-12-hydroperoxy-3-hydroxy-3,9-dimethyl-13-methylidene-6-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate