Chemical Compound

Ingenol 3,20-dibenzoate

CAS Registry Number 59086-90-7
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Ingenol 3,20-dibenzoate chemical structure
Primary Record

Ingenol 3,20-dibenzoate

In stock
5,073 g
Purity
98.6 %
CAS
59086-90-7

Compound Identifiers & Properties

CAS
59086-90-7
PubChem CID
71308509
SMILES
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@H]3C=C([C@H]([C@@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
Canonical SMILES
CC1=C[C@]23C(=O)[C@H](C=C(COC(=O)c4ccccc4)[C@@H](O)[C@@]2(O)[C@H]1OC(=O)c1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C

Names & Synonyms

  • Ingenol 3,20-dibenzoate
  • Ingenol dibenzoate
  • CHLORANILICACIDSODIUMSALT
  • INGENOL3,20-DIBENZOATE
  • C34H36O7
  • MFCD00211027
  • ZINC103651994
  • C34-H36-O7
  • 59086-90-7
  • [(1S,4S,5R,6R,9R,10R,12R,14R)-4-benzoyloxy-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl benzoate