(3S,5Ar,10Br,11As)-6-Acetyl-3-Benzyl-10B-(2-Methyl-3-Buten-2-Yl)-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 C27H29N3O3
IUPAC Name (3s,5ar,10br,11as)-6-acetyl-3-benzyl-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2h-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3h,5ah)-dione
Molecular Mass 443.537 g·mol−1
Heat of Formation 113.8 ± 16.7 kJ·mol−1
Dipole Moment 2.36 ± 1.08 D
Volume 529.71 Å 3
Surface Area 412.99 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-fructigenine a
  • 2h-pyrazino(1',2':1,5)pyrrolo92,3-b)indole-1,4(3h,5ah)-dione, 6-acetyl-10b-(1,1-dimethyl-2-propenyl)-6,10b,11,11a-tetrahydro-3-(phenylmethyl)-, (3s,5ar,10br,11as)-
  • puberulin
  • rugulosuvine b
CAS Number(s)
  • 144606-96-2
InChIKey UHFSGFDEMVYYRX-YSDDDFLKSA-N
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