Chemical Compound

Ingenol mebutate

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Ingenol mebutate chemical structure
Primary Record

Ingenol mebutate

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177399269
SMILES
C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@@H](C2=O)[C@H]4[C@H](C4(C)C)CC3)CO)O)O)C
Canonical SMILES
C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@@]23CC[C@@H]4[C@H]([C@@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C

Names & Synonyms

  • Ingenol mebutate
  • PEP-005
  • J3.622.557B
  • (1S,4S,5S,6R,9R,10R,12R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11-trimethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-4-yl (2Z)-2-methylbut-2-enoate
  • (Z)-2-Methyl-2-butenoic acid (1S,4R,6R,7R,11S)-10beta,11beta-dihydroxy-9-(hydroxymethyl)-5,5,13-trimethyl-1,7-(oxomethylene)tricyclo[9.3.0.04,6]tetradecane-8,13-diene-12beta-yl ester