Chemical Compound

Simplexin M

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Simplexin M chemical structure
Primary Record

Simplexin M

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
101795731
SMILES
CCCC(=O)O[C@H]1[C@@H]([C@@H]2[C@@H]([C@H]3CC(=C)CCC[C@@]([C@@H]2O3)(C)OC(=O)CCC)[C@]([C@@H]1OC(=O)C)(C)O)C(C)C
Canonical SMILES
C=C1CCC[C@@](C)(OC(=O)CCC)[C@@H]2O[C@H](C1)[C@@H]1[C@H]2[C@@H](C(C)C)[C@H](OC(=O)CCC)[C@@H](OC(C)=O)[C@@]1(C)O

Names & Synonyms

  • Simplexin M
  • J2.950.677I
  • (1beta,10beta)-4-Methylene-8,14-dimethyl-8beta,12alpha-bis(butanoyloxy)-11beta-isopropyl-13beta-acetoxy-2alpha,9alpha-epoxybicyclo[8.4.0]tetradecane-14beta-ol
  • (1R,2R,3R,4S,5R,6S,7S,8R,14R)-5-(acetyloxy)-14-(butanoyloxy)-6-hydroxy-6,14-dimethyl-10-methylidene-3-(propan-2-yl)-15-oxatricyclo[6.6.1.02,7]pentadecan-4-yl butanoate