Emarginatine G
[CAS# 155944-13-1]

Identification

• Name: Emarginatine G
• Synonyms: Evonine, 8-(Acetyloxy)-O1,O2-Dideacetyl-8-Deoxo-O2-((1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinyl)Carbonyl)-O1-(1-Oxo-2-Butenyl)-, (8Alpha)-
• Molecular Formula: C₄₅H₅₂N₂O₁₉
• Molecular Weight: 924.91
• CAS Registry Number: 155944-13-1
• SMILES: C5=C4C(OCC1(OC26C(C(OC(=O)C)C(OC(=O)C)C1C2OC(=O)C)(C(OC(=O)\C=C\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/C45H52N2O19/c1-11-13-30(53)63-38-34(64-40(55)27-15-16-29(52)47(10)18-27)36-43(9,57)45-35(61-25(6)50)31(33(60-24(5)49)37(62-26(7)51)44(38,45)20-58-23(4)48)42(8,66-45)19-59-41(56)28-14-12-17-46-32(28)21(2)22(3)39(54)65-36/h11-18,21-22,31,33-38,57H,19-20H2,1-10H3/b13-11+
• InChIKey: RYWZQIMXAGJSGP-ACCUITESSA-N

Properties

• Density: 1.423g/cm³ (Cal.)
• Boiling point: 892.775°C at 760 mmHg (Cal.)
• Flash point: 493.733°C (Cal.)