(3Z,5As,10Br,11As)-10B-(2-Methyl-3-Buten-2-Yl)-3-{[5-(2-Methyl-3-Buten-2-Yl)-1H-Imidazol-4-Yl]Methylene}-6,10B,11,11A-Tetrahydro-2H-Pyrazino[1',2':1,5]Pyrrolo[2,3-B]Indole-1,4(3H,5Ah)-Dione

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Formula C27H31N5O2
IUPAC Name (3z,5as,10br,11as)-10b-(2-methyl-3-buten-2-yl)-3-{[5-(2-methyl-3-buten-2-yl)-1h-imidazol-4-yl]methylene}-6,10b,11,11a-tetrahydro-2h-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3h,5ah)-dione
Molecular Mass 457.567 g·mol−1
Heat of Formation -8.0 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 562.77 Å 3
Surface Area 444.64 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • roquefortine e
InChIKey YOEIOWQHMDDCDD-BDOWUDLBSA-N
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