Chemical Compound

Simplexin

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Simplexin chemical structure
Primary Record

Simplexin

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
118701321
SMILES
CCCCCCCCCC12OC3C4C5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
Canonical SMILES
C=C(C)[C@]12C[C@@H](C)[C@@]34OC(CCCCCCCCC)(OC1C3C1O[C@]1(CO)[C@@H](O)[C@]1(O)C(=O)C(C)=C[C@H]14)O2

Names & Synonyms

  • Simplexin
  • AC1L9C8B
  • C09185
  • (4bS,8aS)-1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione