(3Z,6S)-3-({5-[(2R)-2-Hydroxy-3-Methyl-3-Buten-1-Yl]-2-(2-Methyl-3-Buten-2-Yl)-1H-Indol-3-Yl}Methylene)-6-Methyl-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C24H29N3O3
IUPAC Name (3z,6s)-3-[[2-(1,1-dimethylallyl)-5-[(2r)-2-hydroxy-3-methyl-but-3-enyl]indol-1-ium-2-ylium-3-yl]methylene]-6-methyl-piperazine-2,5-dione
Molecular Mass 407.505 g·mol−1
Heat of Formation -330.5 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 514.85 Å 3
Surface Area 426.16 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-[(2r)-2-hydroxy-3-methyl-but-3-enyl]-1h-indol-3-yl]methylene]-6-methyl-piperazine-2,5-dione
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-[(2r)-2-hydroxy-3-methyl-but-3-enyl]-1h-indol-3-yl]methylene]-6-methyl-piperazine-2,5-quinone
  • (3z,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5-[(2r)-2-hydroxy-3-methylbut-3-enyl]-1h-indol-3-yl]methylene]-6-methylpiperazine-2,5-dione
  • (3z,6s)-3-[[5-[(2r)-2-hydroxy-3-methyl-but-3-enyl]-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene]-6-methyl-piperazine-2,5-dione
  • (3z,6s)-3-[[5-[(2r)-2-hydroxy-3-methylbut-3-enyl]-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
InChIKey SEQDZBXCPJTKIR-GTUZUVEESA-N
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