Lycaconitine
[CAS# 25867-19-0]

Identification

• Name: Lycaconitine
• Synonyms: Lycaconitine
• Molecular Formula: C₃₆H₄₈N₂O₁₀
• Molecular Weight: 668.78
• CAS Registry Number: 25867-19-0
• SMILES: [C@]136[C@@H]2[C@H](OC)[C@@](O)(C1N(C[C@@]2(CC[C@@H]3OC)COC(=O)C4=CC=CC=C4N5C(=O)CCC5=O)CC)[C@]8(O)[C@@H]7[C@H]6C[C@@H]([C@@H]7OC)[C@@H](OC)C8
• InChI: 1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1
• InChIKey: KFXVNXQXPRPLQA-CPIHIRBUSA-N

Properties

• Density: 1.394g/cm³ (Cal.)
• Boiling point: 803.191°C at 760 mmHg (Cal.)
• Flash point: 439.554°C (Cal.)