4-O-Acetyl-21-O-De(Aminocarbonyl)-27-Demethoxy-4-O,23,26-Tridemethyl-6-Deoxo-25-Deoxy-6-(2,3-Dimethoxy-1-Oxopropoxy)-27-Methyl-25-Oxokabiramide C
[CAS# 100045-74-7]

Identification

• Name: 4-O-Acetyl-21-O-De(Aminocarbonyl)-27-Demethoxy-4-O,23,26-Tridemethyl-6-Deoxo-25-Deoxy-6-(2,3-Dimethoxy-1-Oxopropoxy)-27-Methyl-25-Oxokabiramide C
• Molecular Formula: C₅₁H₇₄N₄O₁₆
• Molecular Weight: 999.16
• CAS Registry Number: 100045-74-7
• SMILES: C(C4OC(=O)CC(O)CCCC(=O)CC(C1=COC(=N1)C2=COC(=N2)C3=COC(=N3)\C=C/CC(OC)C4C)C)C(OC)C(CCC(OC(=O)C(OC)COC)C(C(OC(=O)C)C(\C=C\N(C=O)C)C)C)C
• InChI: 1S/C51H74N4O16/c1-30(18-19-42(71-51(61)45(65-11)28-62-8)34(5)48(69-35(6)57)31(2)20-21-55(7)29-56)43(64-10)24-44-33(4)41(63-9)16-13-17-46-52-39(26-66-46)49-54-40(27-68-49)50-53-38(25-67-50)32(3)22-36(58)14-12-15-37(59)23-47(60)70-44/h13,17,20-21,25-27,29-34,37,41-45,48,59H,12,14-16,18-19,22-24,28H2,1-11H3/b17-13-,21-20+
• InChIKey: IRCDNHGYZIAYSJ-VYHRCCAKSA-N

Properties

• Density: 1.228g/cm³ (Cal.)
• Boiling point: 1026.421°C at 760 mmHg (Cal.)
• Flash point: 574.559°C (Cal.)