Chemical Compound

Ingenol dibenzoate

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

Ingenol dibenzoate

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

Compound Identifiers & Properties

CAS
59086-90-7
PubChem CID
162166
SMILES
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@@]4(C1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6
Canonical SMILES
CC1=CC23C(=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 dibenzoate
  • RefChem:148289
  • AC1L4QT6
  • DTXSID20984454
  • KST-1A7188
  • KST-1A7189
  • C34H36O7
  • AR-1A7960
  • AR-1A7961
  • CID162166
  • C34-H36-O7
  • NSC 262646
  • NSC 266220
  • 59086-90-7
  • [(4S,5R,6R,9S,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
  • [(1ar,2s,5r,5ar,6s,9r,10ar)-6-(benzoyloxy)-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1h-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl]methyl benzoate
  • 65971-75-7
  • 65987-46-4
  • [6-(Benzoyloxy)-5,5a-dihydroxy-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-4-yl]methyl benzoate
  • 6-(benzoyloxy)-4-((benzoyloxy)methyl)-1a alpha, 2 alpha,5 beta,5a beta,6 beta,9 alpha,10,10a alpha-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-1H-2,8a alpha-methanocyclopenta(a)cyclopropa(e)cyclo decen-11-one
  • 6-(Benzoyloxy)-4-((benzoyloxy)methyl)-1aalpha,2 alpha,5beta,5abeta,6beta,9alpha,10,10aalpha-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-1H-2,8aalpha-methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one