(3S,6S)-3-Methyl-6-{[2-(2-Methyl-3-Buten-2-Yl)-5,7-Bis(3-Methyl-2-Buten-1-Yl)-1H-Indol-3-Yl]Methyl}-2,5-Piperazinedione

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Properties Simple | Detailed

Formula C29H39N3O2
IUPAC Name (3s,6s)-3-[[2-(1,1-dimethylallyl)-5,7-bis(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methyl-piperazine-2,5-dione
Molecular Mass 461.639 g·mol−1
Heat of Formation -304.9 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 611.8 Å 3
Surface Area 483.21 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5,7-bis(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methyl-piperazine-2,5-dione
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5,7-bis(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methyl-piperazine-2,5-quinone
  • (3s,6s)-3-[[2-(1,1-dimethylprop-2-enyl)-5,7-bis(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione
  • (3s,6s)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1h-indol-3-yl]methyl]piperazine-2,5-dione
  • 2,5-piperazinedione, 3-((2-(1,1-dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1h-indol-3-yl)methyl)-6-methyl-, (3s,6s)-
  • 3-((2-(1,1-dimethyl-2-propenyl)-5,7-bis(3-methyl-2-butenyl)-1h-indol-3-yl)methyl)-6-methyl-2,5-piperazinedione
  • echinuline
CAS Number(s)
  • 1859-87-6
InChIKey DIKMWTRJIZQJMY-CYFREDJKSA-N
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