(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 Diacetate

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Formula C24H32O8
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 diacetate
Molecular Mass 448.506 g·mol−1
Heat of Formation -238.5 ± 16.7 kJ·mol−1
Dipole Moment 14.87 ± 1.08 D
Volume 521.08 Å 3
Surface Area 400.05 Å 2
HOMO Energy -6.18 ± 0.55 eV
LUMO Energy -4.78 ± eV
Point Group Symmetry C1
Synonyms
  • 12-o-acetylphorbol-13-acetate
  • 4-.beta.-phorbol 12,13-diacetate
  • 4.b.-phorbol 12,13-diacetate
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,16-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-4a-beta,7b-alpha,9-beta,9a-alpha-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-, 9,9a-diacetate, (+)
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 9,9a-bis(acetyloxy)-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))-
  • 5h-cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-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(acetyloxy)-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 10,11-diacetate
  • phorbol 11,12-diacetate
  • phorbol 12,13-diacetate
  • phorbol-12,13-diacetate
CAS Number(s)
  • 24928-15-2
InChIKey OMHXSAMFEJVCPT-XQOWHXTBSA-N
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