Histrionicotoxin

Molecule SVG Image

Properties Simple | Detailed

Formula C19H25NO
IUPAC Name (2s,6r,10s,11s)-11-[(z)-but-1-en-3-ynyl]-2-[(z)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-10-ol
Molecular Mass 283.408 g·mol−1
Heat of Formation 277.6 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 368.45 Å 3
Surface Area 303.55 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,6r,7s,8s)-7-[(z)-but-1-en-3-ynyl]-2-[(z)-pent-2-en-4-ynyl]-1-azaspiro[5.5]undecan-8-ol
  • 1-azaspiro(5.5)undecan-8-ol, 7-(1-buten-3-ynyl)-2-(2-penten-4-ynyl)-, (6r-(6alpha(2s*(z)),7beta(z),8alpha))-
  • 1-azaspiro(5.5)undecan-8-ol, 7-(1z)-1-buten-3-ynyl-2-(2z)-2-penten-4-ynyl-, (2s,6r,7s,8s)-
  • histrionicotoxins
CAS Number(s)
  • 34685-67-1
InChIKey JBRYWENFVHQBGY-AFVFYVOOSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N