(8alpha)-8-(Acetyloxy)-O1-Benzoyl-O1,O2-Dideacetyl-8-Deoxo-O2-((1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinyl)Carbonyl)-Evonine
[CAS# 132185-31-0]

Identification

• Name: (8alpha)-8-(Acetyloxy)-O1-Benzoyl-O1,O2-Dideacetyl-8-Deoxo-O2-((1,6-Dihydro-1-Methyl-6-Oxo-3-Pyridinyl)Carbonyl)-Evonine
• Synonyms: Hippocrateine I
• Molecular Formula: C₄₈H₅₂N₂O₁₉
• Molecular Weight: 960.94
• CAS Registry Number: 132185-31-0
• 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)=O)C=CC=C7
• InChI: 1S/C48H52N2O19/c1-23-24(2)41(56)67-38-36(66-43(58)30-17-18-32(55)50(9)20-30)40(68-42(57)29-14-11-10-12-15-29)47(22-61-25(3)51)39(65-28(6)54)35(63-26(4)52)33-37(64-27(5)53)48(47,46(38,8)60)69-45(33,7)21-62-44(59)31-16-13-19-49-34(23)31/h10-20,23-24,33,35-40,60H,21-22H2,1-9H3
• InChIKey: RTDUSTYBGFBJCI-UHFFFAOYSA-N

Properties

• Density: 1.442g/cm³ (Cal.)
• Boiling point: 938.073°C at 760 mmHg (Cal.)
• Flash point: 521.128°C (Cal.)