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Substance Name: Ingenol-3,5,20-triacetate
RN: 30220-45-2
UNII: JJ7S550U27
InChIKey: IMTIXJBINQBHFH-JETAQZOISA-N

Note

  • Tumor-promoting factor found in honey.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C26-H34-O8

Molecular Weight

  • 474.5466
 
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Names and Synonyms

Name of Substance

  • Ingenol-3,5,20-triacetate

Synonyms

  • BRN 2230536
  • Ingenol 3,5,20-triacetate
  • Ingenol triacetate
  • UNII-JJ7S550U27

Systematic Name

  • 1H-2,8a-Methanocyclopenta(a)cyclopropa(e)cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-4-(hydroxymethyl)-1,1,7,9-tetramethyl-5,5a,6-trihydroxy-, 4,5,6-triacetate, (1ar,2S,5R,5ar, 6S,8as,9R,10aR)-

Registry Numbers

CAS Registry Number

  • 30220-45-2

FDA UNII

  • JJ7S550U27

System Generated Number

  • 0030220452

Structure Descriptors

InChI

1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18+,19-,20+,22+,23-,25+,26-/m1/s1

InChIKey

IMTIXJBINQBHFH-JETAQZOISA-N

Smiles

C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(COC(=O)C)[C@@H](OC(=O)C)[C@]4(O)[C@@H](OC(=O)C)C(=C[C@@]14C3=O)C)C2(C)C