Pumiliotoxin B
[CAS# 67016-65-3]

Identification

• Name: Pumiliotoxin B
• Synonyms: (E,2R,3R,8Z)-8-[(8S,8As)-8-Hydroxy-8-Methyl-1,2,3,5,7,8A-Hexahydroindolizin-6-Ylidene]-4,7-Dimethyl-Oct-4-Ene-2,3-Diol; (E,2R,3R,8Z)-8-[(8S,8As)-8-Hydroxy-8-Methyl-Indolizidin-6-Ylidene]-4,7-Dimethyl-Oct-4-Ene-2,3-Diol; 4-Octene-2,3-Diol, 8-((8S,8As)-Hexahydro-8-Hydroxy-8-Methyl-6(5H)-Indolizinylidene)-4,7-Dimethyl-, (2R,3R,4E,7R,8Z)-
• Molecular Formula: C₁₉H₃₃NO₃
• Molecular Weight: 323.47
• CAS Registry Number: 67016-65-3
• SMILES: [C@@H]12N(CC(/C[C@@]1(O)C)=C\C(C/C=C(/[C@@H](O)[C@H](O)C)C)C)CCC2
• InChI: 1S/C19H33NO3/c1-13(7-8-14(2)18(22)15(3)21)10-16-11-19(4,23)17-6-5-9-20(17)12-16/h8,10,13,15,17-18,21-23H,5-7,9,11-12H2,1-4H3/b14-8+,16-10-/t13?,15-,17+,18-,19+/m1/s1
• InChIKey: WDSCDQQQRGGVPJ-AQABUGPSSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 481.533°C at 760 mmHg (Cal.)
• Flash point: 234.756°C (Cal.)