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Substance Name: Phorbol-12,13-dibenzoate
RN: 25405-85-0
InChIKey: FQHYQCXMFZHLAE-PNEATKGUSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C34-H36-O8

Molecular Weight

  • 572.6504
 
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Names and Synonyms

Name of Substance

  • Phorbol-12,13-dibenzoate

Synonyms

  • 9,9a-Bis(benzoyloxy)-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))-
  • CCRIS 695
  • NSC 262643
  • PDB
  • PHORBOL 12,13-DIBENZOATE
  • Phorbol-12,13-dibenzoate

Systematic Names

  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-9,9a-bis(benzoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1aR-(1a-alpha,4b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))
  • 5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(benzoyloxy)-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))- (9CI)
  • Phorbol-12,13-dibenzoate

Registry Numbers

CAS Registry Number

  • 25405-85-0

Other Registry Number

  • 22391-37-3

System Generated Number

  • 0025405850

Structure Descriptors

InChI

1S/C34H36O8/c1-19-15-25-32(39,27(19)36)17-21(18-35)16-24-26-31(3,4)34(26,42-30(38)23-13-9-6-10-14-23)28(20(2)33(24,25)40)41-29(37)22-11-7-5-8-12-22/h5-16,20,24-26,28,35,39-40H,17-18H2,1-4H3/t20-,24+,25-,26-,28-,32-,33-,34-/m1/s1

InChIKey

FQHYQCXMFZHLAE-PNEATKGUSA-N

Smiles

C[C@@H]1[C@@H](OC(=O)c2ccccc2)[C@]3(OC(=O)c4ccccc4)[C@H]([C@@H]5C=C(CO)C[C@@]6(O)[C@@H](C=C(C)C6=O)[C@@]15O)C3(C)C