Jesaconitine
[CAS# 16298-90-1]

Identification

• Name: Jesaconitine
• Synonyms: Jesaconitine
• Molecular Formula: C₃₅H₄₉NO₁₂
• Molecular Weight: 675.77
• CAS Registry Number: 16298-90-1
• SMILES: [C@@]123[C@H]7[C@@](COC)([C@@H](C[C@@H]1OC)O)CN(C2[C@@H]([C@@]4([C@@H]5[C@H]3C[C@@]([C@@H](OC)[C@@H]4O)(O)[C@@H]5OC(C6=CC=C(C=C6)OC)=O)OC(=O)C)[C@@H]7OC)CC
• InChI: 1S/C35H49NO12/c1-8-36-15-32(16-42-3)21(38)13-22(44-5)34-20-14-33(41)29(47-31(40)18-9-11-19(43-4)12-10-18)23(20)35(48-17(2)37,28(39)30(33)46-7)24(27(34)36)25(45-6)26(32)34/h9-12,20-30,38-39,41H,8,13-16H2,1-7H3/t20-,21-,22+,23-,24+,25+,26-,27?,28+,29-,30+,32+,33-,34+,35-/m1/s1
• InChIKey: MGTJNQWIXFSPLC-HQARQGIISA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 748.1±60.0°C at 760 mmHg (Cal.)
• Flash point: 406.2±32.9°C (Cal.)