(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-4A,7B-Dihydroxy-3-(Hydroxymethyl)-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]Azulene-9,9A-Diyl Dibenzoate

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Formula C34H36O8
IUPAC Name (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-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]azulene-9,9a-diyl dibenzoate
Molecular Mass 572.645 g·mol−1
Heat of Formation -1118.1 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 667.96 Å 3
Surface Area 506.67 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4-.beta.-phorbol 12,13-dibenzoate
  • 4.b.-phorbol 12,13-dibenzoate
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-9,9a-bis(benzoyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar-(1a-alpha,4b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))- (9ci)
  • 5h-cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-
  • 9,9a-bis(benzoyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one (1ar-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • phorbol 12,13-dibenzoate
  • phorbol, 12,13-dibenzoate
  • phorbol-12,13-dibenzoate
CAS Number(s)
  • 22391-37-3
  • 25405-85-0
InChIKey FQHYQCXMFZHLAE-PNEATKGUSA-N
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