(8alpha)-8-(Acetyloxy)-O2-Deacetyl-8-Deoxo-Evonine 2-(1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinecarboxylate)
[CAS# 125227-50-1]

Identification

• Name: (8alpha)-8-(Acetyloxy)-O2-Deacetyl-8-Deoxo-Evonine 2-(1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinecarboxylate)
• Molecular Formula: C₄₃H₅₀N₂O₁₉
• Molecular Weight: 898.87
• CAS Registry Number: 125227-50-1
• SMILES: C5=C4C(OCC1(OC26C(C(OC(=O)C)C(OC(=O)C)C1C2OC(=O)C)(C(OC(=O)C)C(OC(=O)C3=CN(C(=O)C=C3)C)C(OC(=O)C(C(C4=NC=C5)C)C)C6(O)C)COC(=O)C)C)=O
• InChI: 1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3
• InChIKey: QLEWEJBYJKTAKW-UHFFFAOYSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 879.341°C at 760 mmHg (Cal.)
• Flash point: 485.608°C (Cal.)