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Substance Name: Phorbol 12-tiglate 13-decanoate
RN: 59086-92-9
InChIKey: QWYNFKKVBDGBLL-KFWZAFQTSA-N

Note

  • Showed antileukemic activity against P-388 lymphocytic leukemia.

Classification Code

  • Tumor Data

Molecular Formula

  • C35-H52-O8

Molecular Weight

  • 600.788
 
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Names and Synonyms

Name of Substance

  • Phorbol 12-tiglate 13-decanoate

Synonyms

  • Phorbol caprate, tiglate
  • Phorbol monodecanoate mono(2-methylcrotonate), (E)-

Systematic Name

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-beta,1b-alpha,4,4a,7a-beta,7b,8,9,9a-decahydro-4a-alpha,7b-beta,9-alpha,9a-beta-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-beta-tetramethyl-, 9a-decanoate 9-(2-methylcrotonate)

Registry Numbers

CAS Registry Number

  • 59086-92-9

System Generated Number

  • 0059086929

Structure Descriptors

InChI

1S/C35H52O8/c1-8-10-11-12-13-14-15-16-27(37)43-35-28(32(35,6)7)25-18-24(20-36)19-33(40)26(17-22(4)29(33)38)34(25,41)23(5)30(35)42-31(39)21(3)9-2/h9,17-18,23,25-26,28,30,36,40-41H,8,10-16,19-20H2,1-7H3/b21-9+/t23-,25+,26-,28-,30-,33-,34-,35-/m1/s1

InChIKey

QWYNFKKVBDGBLL-KFWZAFQTSA-N

Smiles

C(CCCCCCCCC)(=O)O[C@]12[C@@H](C2(C)C)[C@H]2[C@@]([C@@H]3C=C(C([C@@]3(CC(=C2)CO)O)=O)C)([C@@H]([C@H]1OC(\C(=C\C)C)=O)C)O