Perhydrohistrionicotoxin
[CAS# 40709-29-3]

Identification

• Name: Perhydrohistrionicotoxin
• Synonyms: (2R,6R,7S,8S)-2-Amyl-7-Butyl-1-Azaspiro[5.5]Undecan-8-Ol; 1-Azaspiro(5.5)Undecan-8-Ol, 7-Butyl-2-Pentyl-, (2R,6R,7S,8S)-; 1-Azaspiro(5.5)Undecan-8-Ol, 7-Butyl-2-Pentyl-, (6R-(6Alpha(R*),7Beta,8Alpha))-
• Molecular Formula: C₁₉H₃₇NO
• Molecular Weight: 295.51
• CAS Registry Number: 40709-29-3
• SMILES: [C@@]12(N[C@@H](CCC1)CCCCC)CCC[C@@H]([C@H]2CCCC)O
• InChI: 1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3/t16-,17-,18+,19-/m1/s1
• InChIKey: BTKHRQIWTGOESJ-AKHDSKFASA-N

Properties

• Density: 0.95g/cm³ (Cal.)
• Boiling point: 412.412°C at 760 mmHg (Cal.)
• Flash point: 52.192°C (Cal.)