(3Ar,6Z,9R,10As,11As)-3,3,6,9,11A-Pentamethyl-2,3,3A,10,10A,11A-Hexahydro-1H-Dicyclopenta[A,D][9]Annulene-1,5,11(4H,9H)-Trione

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Formula C20H26O3
IUPAC Name (3ar,6z,9r,10as,11as)-3,3,6,9,11a-pentamethyl-2,3,3a,10,10a,11a-hexahydro-1h-dicyclopenta[a,d][9]annulene-1,5,11(4h,9h)-trione
Molecular Mass 314.419 g·mol−1
Heat of Formation -526.6 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 401.54 Å 3
Surface Area 313.02 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,3alpha,10,10alpha,11alpha-hexahydro-3,3,6,9,11alpha-pentamethyl-1h-dicyclopenta(a,d)cyclononene-1,5,11(4h,9h)-trione
  • jatrophatrione
CAS Number(s)
  • 58298-76-3
InChIKey TYBGBKQPLBAYQG-CJIMKZOCSA-N
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