28-(1H-Imidazol-1-Yl)-3,12,28-Trioxooleana-1,9(11)-Diene-2-Carbonitrile

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Formula C34H38N3O3
IUPAC Name [(2r,4as,6ar,6bs,8as,12ar,14ar,14bs)-11-cyano-9-ethynyl-2,2,6a,6b,12a-pentamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicen-9-ide-4a-carbonyl]-(2-isocyanoethynyl)azanide
Molecular Mass 536.684 g·mol−1
Heat of Formation -340.1 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 669.76 Å 3
Surface Area 483.88 Å 2
HOMO Energy -9.94 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
Synonyms
  • cddo-im
  • oleana-1,9(11)-dien-28-oic acid imidazolide, 2-cyano-3,12-dioxo-
InChIKey ITFBYYCNYVFPKD-FMIDTUQUSA-N
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