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Substance Name: 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol
RN: 70028-77-2
InChIKey: RNSOPTPHJBVSTN-RWIQPIBWSA-N

Molecular Formula

  • C28-H38-O6

Molecular Weight

  • 470.6022
 
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Names and Synonyms

Results Name

  • 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol

Synonym

  • 12-O-(Z,E)-2,4-Octadienoyl-4-desoxyphorbol

Systematic Name

  • 2,4-Octadienoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b,9a-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta(2Z,4E),9aalpha))-

Registry Numbers

CAS Registry Number

  • 70028-77-2

System Generated Number

  • 0070028772

Structure Descriptors

InChI

1S/C28H38O6/c1-6-7-8-9-10-11-22(30)34-25-17(3)27(32)20-12-16(2)23(31)19(20)13-18(15-29)14-21(27)24-26(4,5)28(24,25)33/h8-12,14,17,19-21,24-25,29,32-33H,6-7,13,15H2,1-5H3/b9-8+,11-10-/t17-,19-,20-,21+,24-,25-,27+,28-/m1/s1

InChIKey

RNSOPTPHJBVSTN-RWIQPIBWSA-N

Smiles

CCC\C=C\C=C/C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@H]3CC(=C[C@H]2[C@@H]4C(C)(C)[C@]14O)CO