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Substance Name: Phorbol 12,13-dibutyrate
RN: 37558-16-0
UNII: 67MX82CL58
InChIKey: BQJRUJTZSGYBEZ-YVQNUNKESA-N

Note

  • A phorbol ester found in CROTON OIL which, in addition to being a potent skin tumor promoter, is also an effective activator of calcium-activated, phospholipid-dependent protein kinase (protein kinase C). Due to its activation of this enzyme, phorbol 12,13-dibutyrate profoundly affects many different biological systems.

Molecular Formula

  • C28-H40-O8

Molecular Weight

  • 504.616
 

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
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Names and Synonyms

Name of Substance

  • Phorbol 12,13-dibutyrate

MeSH Heading

  • Phorbol 12,13-dibutyrate

Synonyms

  • NSC 622507
  • Phorbol 12,13-dibutyrate
  • Phorbol-12,13-dibutyrate
  • UNII-67MX82CL58

Systematic Names

  • Butanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-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
  • Butanoic 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-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-

Registry Numbers

CAS Registry Number

  • 37558-16-0

FDA UNII

  • 67MX82CL58

System Generated Number

  • 0037558160

Structure Descriptors

InChI

1S/C28H40O8/c1-7-9-20(30)35-24-16(4)27(34)18(22-25(5,6)28(22,24)36-21(31)10-8-2)12-17(14-29)13-26(33)19(27)11-15(3)23(26)32/h11-12,16,18-19,22,24,29,33-34H,7-10,13-14H2,1-6H3/t16-,18+,19-,22-,24-,26-,27-,28-/m1/s1

InChIKey

BQJRUJTZSGYBEZ-YVQNUNKESA-N

Smiles

CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)[C@H]2C=C(C)C3=O)[C@@H]4C(C)(C)[C@]14OC(=O)CCC