jaspisamide A
[CAS# 149420-76-8]

Identification

• Name: jaspisamide A
• Molecular Formula: C₄₄H₆₂N₄O₁₃
• Molecular Weight: 854.99
• CAS Registry Number: 149420-76-8
• SMILES: C(C4OC(=O)CC(O)CC(O)CC(=O)C(C(OC)C1=COC(=N1)C2=COC(=N2)C3=COC(=N3)\C=C/CCC4C)C)C(OC)C(CCC(=O)C(C(OC)C\C=C\N(C=O)C)C)C
• InChI: 1S/C44H62N4O13/c1-26-12-9-10-14-40-45-33(23-58-40)43-47-34(24-60-43)44-46-32(22-59-44)42(57-8)29(4)36(53)19-30(50)18-31(51)20-41(54)61-39(26)21-38(56-7)27(2)15-16-35(52)28(3)37(55-6)13-11-17-48(5)25-49/h10-11,14,17,22-31,37-39,42,50-51H,9,12-13,15-16,18-21H2,1-8H3/b14-10-,17-11+
• InChIKey: ZFFIZZXYOLCUDD-AIXGLBGOSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 1005.265°C at 760 mmHg (Cal.)
• Flash point: 561.764°C (Cal.)