(8alpha)-8-(Acetyloxy)-O1-Benzoyl-O1,O2,O15-Trideacetyl-8-Deoxo-O2-((1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinyl)Carbonyl)-O15-(2-Methyl-1-Oxobutyl)-Evonine
[CAS# 132209-62-2]

Identification

• Name: (8alpha)-8-(Acetyloxy)-O1-Benzoyl-O1,O2,O15-Trideacetyl-8-Deoxo-O2-((1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinyl)Carbonyl)-O15-(2-Methyl-1-Oxobutyl)-Evonine
• Synonyms: Hippocrateine Ii
• Molecular Formula: C₅₁H₅₈N₂O₁₉
• Molecular Weight: 1003.02
• CAS Registry Number: 132209-62-2
• SMILES: C7=C(C(OC5C2(C14OC(C(C1OC(=O)C)C(OC(=O)C)C2OC(=O)C)(COC(=O)C3=C(N=CC=C3)C(C(C(OC(C4(O)C)C5OC(=O)C6=CN(C(=O)C=C6)C)=O)C)C)C)COC(=O)C(CC)C)=O)C=CC=C7
• InChI: 1S/C51H58N2O19/c1-11-25(2)43(58)65-24-50-41(68-30(7)56)37(66-28(5)54)35-39(67-29(6)55)51(50)49(9,63)40(70-44(59)27(4)26(3)36-33(18-15-21-52-36)47(62)64-23-48(35,8)72-51)38(42(50)71-45(60)31-16-13-12-14-17-31)69-46(61)32-19-20-34(57)53(10)22-32/h12-22,25-27,35,37-42,63H,11,23-24H2,1-10H3
• InChIKey: RVRGKCMJIQOILH-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 954.085°C at 760 mmHg (Cal.)
• Flash point: 530.812°C (Cal.)