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
442043
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
  • ingenoldibenzoate
  • AC1L9C5N
  • Ingenol-3,20-dibenzoate
  • RefChem:1087383
  • CHEMBL2165713
  • CHEBI:5923
  • SCHEMBL18873016
  • 59086-90-7
  • DTXCID801743790
  • DTXSID301313972
  • C34H36O7
  • CID442043
  • RD4-2174
  • AKOS040754905
  • C34-H36-O7
  • C09113
  • J768.462B
  • RD-4-2174
  • NS00093856
  • A1204240
  • Q27106931
  • (benzoyloxy-dihydroxy-tetramethyl-oxo-[?]yl)methyl benzoate
  • [(1S,4S,5S,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,8aS,9R,10aR)-6-(Benzoyloxy)-4-[(benzoyloxy)methyl]-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one; (+)-Ingenol 3,20-dibenzoate; Ingenol 3,20-Dibenzoate; NSC 262646; NSC 266220; RD 4-2174; [1aR-(1aa,2ss,5ss,5ass,6ss,8aa,9a,10aa)]-6-(benzoyloxy)-4-[(benzoyloxy)methyl]-1a,2,5,5a,6,9,10,10a-Octahydro-5,5a-dihydroxy-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one
  • (1aR,2S,8aS)-1aalpha,2,5,5a,6,9,10,10aalpha-Octahydro-6beta-(benzoyloxy)-5beta,5abeta-dihydroxy-4-[(benzoyloxy)methyl]-1,1,7,9alpha-tetramethyl-1H-2,8aalpha-methanocyclopenta[a]cyclopropa[e]cyclodecene-11-one
  • [(1S,4S,5S,6R,9S,10R,12R,14R)-4-(benzoyloxy)-5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-7-yl]methyl benzoate
  • 5,6-dihydroxy-3,11,11,14-tetramethyl-15-oxo-7-(phenylcarbonyloxymethyl)tetracyclo[7.5.1.0<1,5>.0<10,12>]pentadeca-2,7-dien-4-yl benzoate
  • 637-387-6
  • methyl (1S,4aS,5aS,6R,10aS)-5',6'-dimethoxy-1-methyl-2'-oxo-spiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-indoline]-4-carboxylate