(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-4A,7B-Dihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-9-{[(2Z)-2-Methyl-2-Butenoyl]Oxy}-5-Oxo-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-9Ah-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9A-Yl Decanoate

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Formula C35H52O8
IUPAC Name (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2z)-2-methyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate
Molecular Mass 600.783 g·mol−1
Heat of Formation -1549.4 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 761.79 Å 3
Surface Area 604.13 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • phorbol 12-tigliate 13-decanoate
InChIKey QWYNFKKVBDGBLL-MCQGUPFJSA-N
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Elements H C O