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Substance Name: 4alpha-Phorbol 12,13-dibenzoate
RN: 123672-47-9
InChIKey: FQHYQCXMFZHLAE-JSRDOVAZSA-N

Molecular Formula

  • C34-H36-O8

Molecular Weight

  • 572.6504
 
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Names and Synonyms

Results Name

  • 4alpha-Phorbol 12,13-dibenzoate

Synonyms

  • 4-alpha-Phorbol 12,13-dibenzoate
  • 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-(1aa,1bb,4aa,7aa,7ba,8a,9b,9aa))-

Systematic Name

  • 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,1bS,4aS,7aS,7bS,8R,9R,9aS)-

Registry Numbers

CAS Registry Number

  • 123672-47-9

System Generated Number

  • 0123672479

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-JSRDOVAZSA-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