(1Ar,1Bs,4Ar,7As,7Br,8R,9As)-3-(Acetoxymethyl)-4A,7B-Dihydroxy-1,1,6,8-Tetramethyl-5-Oxo-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-9Ah-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9A-Yl Phenylacetate

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Formula C30H36O7
IUPAC Name (1ar,1bs,4ar,7as,7br,8r,9as)-3-(acetoxymethyl)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl phenylacetate
Molecular Mass 508.603 g·mol−1
Heat of Formation -1078.4 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 616.06 Å 3
Surface Area 487.55 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 12-deoxyphorbol-13-phenylacetate-20-acetate
  • 12-deoxyphorbolphenylacetate-20-acetate
  • 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-4a-beta,7b-alpha,9a-alpha-trihydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 3-acetate 9a-phenylacetate
  • benzeneacetic acid ,(1ar,1bs,4ar,7as,7br,8r,9as)-3-((acetyloxy)methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa(3,4)benz(1,2-e)azulen-9a-yl ester
CAS Number(s)
  • 54662-30-5
InChIKey MEDVHSNRBPAIPU-XMOZQXTISA-N
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