(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-9A-Acetoxy-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-1H-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9-Yl (2E,4E,6E,8E)-2,4,6,8-Tetradecatetraenoate

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Properties Simple | Detailed

Formula C36H48O8
IUPAC Name (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1h-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl (2e,4e,6e,8e)-2,4,6,8-tetradecatetraenoate
Molecular Mass 608.762 g·mol−1
Heat of Formation -1265.2 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 759.02 Å 3
Surface Area 624.96 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy 1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 12-o-tetradeca-2,4,6,8-tetranoylphorbol-13-acetate
  • 12-o-tetradeca-2-cis,4-trans,6,8-tetraenoylphorbol-13-acetate
  • 2,4,6,8-tetradecatetraenoic acid, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
  • 2,4,6,8-tetradecatetraenoic acid, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-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,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-3-hydroxymethyl-4a-alpha,7b-alpha,9-beta,9a-alpha-tetrahydroxy-1,1,6,8-alpha-tetramethyl-, 9a-acetate, 9-tetradeca-2,4,6,8-tetraenoate, (2z,4e)-
  • ti-8
CAS Number(s)
  • 77550-14-2
  • 64604-09-7
InChIKey YVKMFDXQIBCBHY-CEWIBAEJSA-N
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