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Substance Name: Phorbol-12,13-diacetate
RN: 24928-15-2
InChIKey: OMHXSAMFEJVCPT-XQOWHXTBSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C24-H32-O8

Molecular Weight

  • 448.5088
 
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Names and Synonyms

Name of Substance

  • Phorbol-12,13-diacetate

Synonyms

  • 12-O-Acetylphorbol-13-acetate
  • 9,9a-Bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • Phorbol 10,11-diacetate
  • Phorbol 11,12-diacetate
  • Phorbol-12,13-diacetate

Systematic Names

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,16-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9,9a-diacetate, (+)
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Registry Numbers

CAS Registry Number

  • 24928-15-2

System Generated Number

  • 0024928152

Structure Descriptors

InChI

1S/C24H32O8/c1-11-7-17-22(29,19(11)28)9-15(10-25)8-16-18-21(5,6)24(18,32-14(4)27)20(31-13(3)26)12(2)23(16,17)30/h7-8,12,16-18,20,25,29-30H,9-10H2,1-6H3/t12-,16+,17-,18-,20-,22-,23-,24-/m1/s1

InChIKey

OMHXSAMFEJVCPT-XQOWHXTBSA-N

Smiles

C[C@@H]1[C@@H](OC(=O)C)[C@]2(OC(=O)C)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C