Tryprostatin A

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Formula C22H27N3O3
IUPAC Name (3s,8as)-3-[[6-methoxy-2-(3-methylbut-2-enyl)indol-1-ium-2-ylium-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Mass 381.468 g·mol−1
Heat of Formation -411.2 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 465.24 Å 3
Surface Area 392.98 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8as)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-dione
  • (3s,8as)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[2,1-f]pyrazine-1,4-quinone
  • megxm0_000107
  • tps-a
  • tryprostatin a, <i>aspergillus fumigatus
InChIKey XNRPVPHNDQHWLJ-PMACEKPBSA-N
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