4.α.-Phorbol 12,13-Dibutyrate

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Properties Simple | Detailed

Formula C28H40O8
IUPAC Name 4.alpha.-phorbol 12,13-dibutyrate
Molecular Mass 504.612 g·mol−1
Heat of Formation -1491.7 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 619.85 Å 3
Surface Area 478.4 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 4-.alpha.-phorbol 12,13-dibutyrate
  • 4.a.-phorbol 12,13-dibutyrate
  • butanoic acid, (1ar,1bs,4as,7as,7bs,8r,9r,9as)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa[3,4]benz[1,2-e]azulene-9,9a-diyl ester
InChIKey BQJRUJTZSGYBEZ-NQGQECDZSA-N
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