(1Ar,1Bs,4Ar,7Ar,7Br,8R,9R,9As)-9A-Acetoxy-7B-Hydroxy-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 (2Z,4E)-2,4-Octadienoate

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Formula C30H40O7
IUPAC Name (1ar,1bs,4ar,7ar,7br,8r,9r,9as)-9a-acetoxy-7b-hydroxy-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 (2z,4e)-2,4-octadienoate
Molecular Mass 512.634 g·mol−1
Heat of Formation -1149.4 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 633.52 Å 3
Surface Area 496.72 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1ar,1bs,4ar,7ar,7br,8r,9r,9as)-9a-(acetyloxy)-7b-hydroxy-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 rel-(2z,4e)-octa-2,4
  • (1ar,1bs,4ar,7ar,7br,8r,9r,9as)-9a-acetoxy-7b-hydroxy-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 (2z,4e)-octa-2,4-dienoate
  • 13-o-acetyl-12-o-(2'z,4'e-octadienoyl)-4alpha-deoxyphorbol
  • 13-o-acetyl-12-o-(z,e)-2,4-octadienoyl-4-desoxyphorbol
  • 2,4-octadienoic acid, (1ar,1bs,4ar,7ar,7br,8r,9r,9as)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa[3,4]benz[1,2-e]azulen-9-yl
  • 4-deoxy-4alpha-phorbol 13-acetate 12-(2z,4e)-octa-2,4-dienoate
  • octa-2,4-dienoic acid 9a-acetoxy-7b-hydroxy-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 ester
  • pedilstatin
CAS Number(s)
  • 70028-76-1
InChIKey ALKHEZOKTHCOBM-GTBZSHDQSA-N
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