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Substance Name: Phorbol dibenzoate
RN: 38548-44-6
InChIKey: BDXXURBVPCCUJF-VZDYDIMDSA-N

Molecular Formula

  • C34-H36-O8

Molecular Weight

  • 608.68
 
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Names and Synonyms

Results Name

  • Phorbol dibenzoate

Synonyms

  • (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,1aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-Decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5H-cyclopropa(3,4)benz(1,2-e)azulen-5-one dibenzoate
  • Phorbol dibenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 38548-44-6

System Generated Number

  • 0038548446

Structure Descriptors

InChI

1S/C20H28O6.2C7H6O2/c1-9-5-13-18(24,15(9)22)7-11(8-21)6-12-14-17(3,4)20(14,26)16(23)10(2)19(12,13)25;2*8-7(9)6-4-2-1-3-5-6/h5-6,10,12-14,16,21,23-26H,7-8H2,1-4H3;2*1-5H,(H,8,9)/t10-,12+,13-,14-,16-,18-,19-,20?;;/m1../s1

InChIKey

BDXXURBVPCCUJF-VZDYDIMDSA-N

Smiles

C1(=O)C(=C[C@H]2[C@@]3([C@@H](C=C(C[C@]12O)CO)[C@H]1C([C@@H]([C@H]3C)O)(C1(C)C)O)O)C.C(=O)(c1ccccc1)O.C(=O)(c1ccccc1)O