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Substance Name: Phorbol-12,13-didecanoate
RN: 24928-17-4
InChIKey: DGOSGFYDFDYMCW-MWRBZVGOSA-N

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formulas

  • C40-H55-O8
  • C40-H64-O8

Molecular Weight

  • 672.9376
 
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Names and Synonyms

Name of Substance

  • Phorbol-12,13-didecanoate

Synonyms

  • 4-alpha-Phorbol-12,13-didecanoate
  • 4-beta-Phorbol didecanoate
  • CCRIS 696
  • PDD
  • Phorbol dicaprate
  • Phorbol didecanoate
  • Phorbol-12,13-didecanoate

Systematic Names

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-, 9,9a-didecanoate
  • Decanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • Phorbol-12,13-didecanoate

Registry Numbers

CAS Registry Number

  • 24928-17-4

Other Registry Number

  • 60493-75-6

System Generated Number

  • 0024928174

Structure Descriptors

InChI

1S/C40H64O8/c1-7-9-11-13-15-17-19-21-32(42)47-36-28(4)39(46)30(24-29(26-41)25-38(45)31(39)23-27(3)35(38)44)34-37(5,6)40(34,36)48-33(43)22-20-18-16-14-12-10-8-2/h23-24,28,30-31,34,36,41,45-46H,7-22,25-26H2,1-6H3/t28-,30+,31-,34-,36-,38-,39-,40-/m1/s1

InChIKey

DGOSGFYDFDYMCW-MWRBZVGOSA-N

Smiles

CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCCCCCC)O)C