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Substance Name: Phorbol acetate laurate
RN: 20839-16-1
InChIKey: PSBLORXWXFKGFT-XBQQKYDNSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C34-H52-O8

Molecular Weight

  • 588.7768
 
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Names and Synonyms

Results Name

  • Phorbol acetate laurate

Synonyms

  • BRN 2610948
  • Phorbol acetate, laurate
  • Phorbol monoacetate monolaurate

Systematic Name

  • Lauric acid, 9a-ester with 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-(hydroxymethyl)-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one 9-acetate

Registry Numbers

CAS Registry Number

  • 20839-16-1

Other Registry Number

  • 16675-05-1

System Generated Number

  • 0020839161

Structure Descriptors

InChI

1S/C34H52O8/c1-7-8-9-10-11-12-13-14-15-16-27(37)42-34-28(31(34,5)6)25-18-24(20-35)19-32(39)26(17-21(2)29(32)38)33(25,40)22(3)30(34)41-23(4)36/h17-18,22,25-26,28,30,35,39-40H,7-16,19-20H2,1-6H3/t22-,25+,26-,28-,30?,32-,33-,34-/m1/s1

InChIKey

PSBLORXWXFKGFT-XBQQKYDNSA-N

Smiles

CCCCCCCCCCCC(=O)O[C@@]12C(OC(=O)C)[C@@H](C)[C@@]3(O)[C@@H](C=C(CO)C[C@@]4(O)[C@H]3C=C(C)C4=O)[C@@H]1C2(C)C