Chemical Compound

CCRIS 5195

CAS Registry Number 80188-99-4
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CCRIS 5195 chemical structure
Primary Record

CCRIS 5195

In stock
5,143 g
Purity
99.3 %
CAS
80188-99-4

Compound Identifiers & Properties

CAS
80188-99-4
PubChem CID
104868
SMILES
C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)OC(=O)C)OC(=O)C=C(C)C=CC=C(C)C=CC5=C(CCCC5(C)C)C
Canonical SMILES
CC(=O)O[C@@]12[C@H](OC(=O)C=C(C)C=CC=C(C)C=CC3=C(C)CCCC3(C)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@]4(O)C(=O)C(C)=C[C@@H]34)[C@@H]1C2(C)C

Names & Synonyms

  • CCRIS 5195
  • CTK8G2395
  • 12-O-Retinoylphorbol-13-acetate
  • C42H56O8
  • C42-H56-O8
  • PHORBOL-12-RETINOATE-13-ACETATE
  • 80188-99-4
  • [(1S,2S,6R,10S,11R,13S,14R,15R)-13-Acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate