Gephyrotoxin

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Properties Simple | Detailed

Formula C19H29NO
IUPAC Name 2-[(1r,3ar,5ar,6r,9as,10s)-6-[(z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,2-a]quinolin-1-yl]ethanol
Molecular Mass 287.440 g·mol−1
Heat of Formation -42.9 ± 16.7 kJ·mol−1
Dipole Moment 3.73 ± 1.08 D
Volume 389.67 Å 3
Surface Area 307.79 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 3.19 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3as,5as,6s(z),9ar,10r)dodecahydro-6-(2-penten-4-yl)pyrrolo(1,2-a)quinoline-1-ethanol
  • 2-[(1r,3ar,5ar,6r,9as)-6-[(z)-pent-2-en-4-ynyl]-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydropyrrolo[1,5-a]quinolin-1-yl]ethanol
  • histrionicotoxin d
  • htx d
  • pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1alpha,3abeta,5aalpha,6alpha(z),9aalpha)-
  • pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2-penten-4-ynyl)-, (1r-(1alpha,3abeta,5aalpha,6alpha(z),9aalpha))-
  • pyrrolo(1,2-a)quinoline-1-ethanol, dodecahydro-6-(2z)-2-penten-4-ynyl-, (1r,3ar,5ar,6r,9as)-
CAS Number(s)
  • 55893-12-4
  • 75685-48-2
InChIKey IQTIQAXNJBRKRG-IZDLKJCPSA-N
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