Chemical Compound

Klysimplexin H

Klysimplexin H chemical structure
Primary Record

Klysimplexin H

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
44243827
SMILES
CCCC(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@H]3/C=C(\[C@H](CC[C@@]([C@@H]2O3)(C)OC(=O)CCC)O)/C)[C@]([C@@H]1OC(=O)C)(C)O)C(C)C
Canonical SMILES
CCCC(=O)O[C@H]1[C@H](C(C)C)[C@@H]2[C@@H]([C@H]3/C=C(/C)[C@@H](O)CC[C@@](C)(OC(=O)CCC)[C@@H]2O3)[C@](C)(O)[C@@H]1OC(C)=O

Names & Synonyms

  • Klysimplexin H
  • RefChem:151312
  • CHEMBL1928373
  • J2.762.879F
  • ((1R,2R,3R,4S,5R,6S,7S,8R,9Z,11S,14R)-5-acetyloxy-14-butanoyloxy-6,11-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo(6.6.1.02,7)pentadec-9-en-4-yl) butanoate
  • (1alpha,10alpha)-3beta,7,11-Trimethyl-3,13beta-bis(butanoyloxy)-12alpha-acetoxy-14alpha-isopropyl-2beta,9beta-epoxybicyclo[8.4.0]tetradecane-7-ene-6alpha,11alpha-diol
  • (1R,2R,3R,4S,5R,6S,7S,8R,11S,14R)-5-(acetyloxy)-14-(butanoyloxy)-6,11-dihydroxy-6,10,14-trimethyl-3-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadec-9-en-4-yl butanoate
  • [(1R,2R,3R,4S,5R,6S,7S,8R,9Z,11S,14R)-5-acetyloxy-14-butanoyloxy-6,11-dihydroxy-6,10,14-trimethyl-3-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadec-9-en-4-yl] butanoate