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Substance Name: 13-O-Acetylphorbol-20-linoleate
RN: 250268-53-2
InChIKey: YSXDURFMHDUCMP-BQXPDDNPSA-N

Molecular Formula

  • C40-H60-O8

Molecular Weight

  • 668.906
 
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Names and Synonyms

Results Name

  • 13-O-Acetylphorbol-20-linoleate

Synonyms

  • 13-O-Acetylphorbol-20-(9Z,12Z)-octadecadienoate
  • 13-O-Acetylphorbol-20-linoleate

Systematic Name

  • 9,12-Octadecadienoic acid (9Z,12Z)-, ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9-trihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-3-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 250268-53-2

System Generated Number

  • 0250268532

Structure Descriptors

InChI

1S/C40H60O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(42)47-26-30-24-31-34-37(5,6)40(34,48-29(4)41)36(44)28(3)39(31,46)32-23-27(2)35(43)38(32,45)25-30/h11-12,14-15,23-24,28,31-32,34,36,44-46H,7-10,13,16-22,25-26H2,1-6H3/b12-11-,15-14-/t28-,31+,32-,34-,36-,38-,39-,40-/m1/s1

InChIKey

YSXDURFMHDUCMP-BQXPDDNPSA-N

Smiles

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)O)C)O)C)O)OC(=O)C