17-deoxy-17-oxo-Streptovaricinoic acid methyl ester
[CAS# 35413-63-9]

Identification

• Name: 17-deoxy-17-oxo-Streptovaricinoic acid methyl ester
• Synonyms: Streptovaricin E; Streptovaricinoic Acid, 17-Deoxy-17-Oxo-, Methyl Ester
• Molecular Formula: C₄₀H₄₉NO₁₄
• Molecular Weight: 767.83
• CAS Registry Number: 35413-63-9
• SMILES: CC4C(O)C(C(O)C(C(=O)C(C)\C=C/C=C(C(=O)NC3=C(C(=C2C1=C(OCOC1=C(C(=C2C3=O)O)C)C(=C/C(O)(C4O)C)/C)OC(=O)C)C)\C)C)C(OC)=O
• InChI: 1S/C40H49NO14/c1-16-12-11-13-17(2)38(49)41-28-19(4)36(55-23(8)42)24-25(33(28)47)31(45)21(6)35-26(24)34(53-15-54-35)18(3)14-40(9,51)37(48)22(7)32(46)27(39(50)52-10)30(44)20(5)29(16)43/h11-14,16,20,22,27,30,32,37,44-46,48,51H,15H2,1-10H3,(H,41,49)/b12-11-,17-13+,18-14+
• InChIKey: NAZWUAFAEWGXMG-VWSKNAGGSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 944.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 524.9±34.3°C (Cal.)