(2S,6R,7S,8S)-7-[(1E)-1-Buten-3-Yn-1-Yl]-2-[(2E)-2-Penten-4-Yn-1-Yl]-1-Azaspiro[5.5]Undecan-8-Ol

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Properties Simple | Detailed

Formula C19H25NO
IUPAC Name (2s,6r,10s,11s)-11-[(e)-but-1-en-3-ynyl]-2-[(e)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol
Molecular Mass 283.408 g·mol−1
Heat of Formation 276.3 ± 16.7 kJ·mol−1
Dipole Moment 3.24 ± 1.08 D
Volume 316.76 Å 3
Surface Area 283.4 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,6r,7s,8s)-7-[(e)-but-1-en-3-ynyl]-2-[(e)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-8-ol
  • histrionicotoxin
CAS Number(s)
  • 34272-51-0
InChIKey JBRYWENFVHQBGY-GFSCOHCQSA-N
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