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Substance Name: 4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate
RN: 57716-89-9
InChIKey: VCWNAJUHTLWQQT-XCHBPHIQSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C37-H58-O8

Molecular Weight

  • 630.857
 
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Names and Synonyms

Name of Substance

  • 4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate

Synonyms

  • 4-O-Methyl-12-O-tetradecanoylphorbol 13-acetate
  • 4-O-Methyl-12-o-tetradecanoylphorbol-13-acetate
  • 4-O-Methyl-tpa
  • 4-O-Methylphorbol-12-myristate acetate
  • Me-Tpa

Systematic Names

  • (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-Tetradecanoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
  • 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-3-(hydroxymethyl)-4a-beta-methoxy-1,1,6,8-alpha-tetramethyl-7b-alpha,9-beta-9a-alpha-trihydroxy-, 9-acetate 9a-tetradecanoate
  • Tetradecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester

Registry Numbers

CAS Registry Number

  • 57716-89-9

System Generated Number

  • 0057716899

Structure Descriptors

InChI

1S/C37H58O8/c1-8-9-10-11-12-13-14-15-16-17-18-19-30(40)44-33-25(3)36(42)28(31-34(5,6)37(31,33)45-26(4)39)21-27(23-38)22-35(43-7)29(36)20-24(2)32(35)41/h20-21,25,28-29,31,33,38,42H,8-19,22-23H2,1-7H3/t25-,28+,29-,31-,33-,35-,36-,37-/m1/s1

InChIKey

VCWNAJUHTLWQQT-XCHBPHIQSA-N

Smiles

C1([C@@]2([C@@H]1[C@@H]1C=C(C[C@@]3([C@H]([C@@]1([C@@H]([C@H]2OC(=O)CCCCCCCCCCCCC)C)O)C=C(C)C3=O)OC)CO)OC(=O)C)(C)C