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

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Properties Simple | Detailed

Formula C20H28O6
IUPAC Name (1ar,1bs,4as,7as,7bs,8r,9r,9as)-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-5h-cyclopropa[3,4]benzo[1,2-e]azulen-5-one
Molecular Mass 364.433 g·mol−1
Heat of Formation -987.2 ± 16.7 kJ·mol−1
Dipole Moment 4.55 ± 1.08 D
Volume 430.84 Å 3
Surface Area 333.33 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • (1ar-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one
  • 4-alpha-phorbol
  • 4alpha,9alpha,12beta,13alpha,20-pentahydroxytigilia-1,6-dien-3-one
  • 4alphaphr
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar,1bs,4as,7as,7bs,8r,9r,9as)-
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar-(1aalpha,1bbeta,4aalpha,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • 5h-cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b,9,9a-tetrahydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-, (1ar,1bs,4as,7as,7bs,8r,9r,9as)-
CAS Number(s)
  • 26241-63-4
InChIKey QGVLYPPODPLXMB-FYYCTCHMSA-N
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