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

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Formula C34H43N3O3
IUPAC Name (4ar,6ar,6as,6br,8as,12as,14bs)-8a-(imidazole-1-carbonyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,13-dioxo-4a,5,6,6a,7,8,9,10,12,12a-decahydropicene-2-carbonitrile
Molecular Mass 541.724 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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