Ajacine
[CAS# 509-17-1]

Identification

• Name: Ajacine
• Synonyms: N-(Acetylanthraniloyl)Lycoctonine; Pontaconitine A
• Molecular Formula: C₃₄H₄₈N₂O₉
• Molecular Weight: 628.76
• CAS Registry Number: 509-17-1
• SMILES: [C@]35([C@@]1([C@@H]2[C@@H](C[C@H]([C@H](C1)OC)[C@@H]2OC)[C@@]47C3N(C[C@]([C@H]4[C@@H]5OC)(COC(C6=C(NC(=O)C)C=CC=C6)=O)CC[C@H]7OC)CC)O)O
• InChI: 1S/C34H48N2O9/c1-7-36-16-31(17-45-29(38)19-10-8-9-11-22(19)35-18(2)37)13-12-24(42-4)33-21-14-20-23(41-3)15-32(39,25(21)26(20)43-5)34(40,30(33)36)28(44-6)27(31)33/h8-11,20-21,23-28,30,39-40H,7,12-17H2,1-6H3,(H,35,37)/t20-,21-,23+,24-,25-,26+,27-,28+,30?,31+,32-,33+,34-/m1/s1
• InChIKey: NUXFDCYXMLVOFU-KJWLPSOCSA-N

Properties

• Density: 1.335g/cm³ (Cal.)
• Boiling point: 753.153°C at 760 mmHg (Cal.)
• Flash point: 409.292°C (Cal.)