Rifocin M
[CAS# 2750-76-7]

Identification

• Name: Rifocin M
• Synonyms: Rifocina M; Rifomycin B Diethylamide; Rifomycin M14
• Molecular Formula: C₄₃H₅₈N₂O₁₃
• Molecular Weight: 810.94
• CAS Registry Number: 2750-76-7
• EINECS: 220-390-8
• SMILES: [C@]24(OC1=C(C3=C(C(=C1C)O)C(=C(NC(=O)C(=C\C=C\[C@@H]([C@H](O)[C@H]([C@@H](O)[C@H]([C@H](OC(=O)C)[C@@H]([C@@H](OC)/C=C/O2)C)C)C)C)/C)C=C3OCC(=O)N(CC)CC)O)C4=O)C
• InChI: 1S/C43H58N2O13/c1-12-45(13-2)31(47)20-55-30-19-28-38(51)33-32(30)34-40(26(8)37(33)50)58-43(10,41(34)52)56-18-17-29(54-11)23(5)39(57-27(9)46)25(7)36(49)24(6)35(48)21(3)15-14-16-22(4)42(53)44-28/h14-19,21,23-25,29,35-36,39,48-51H,12-13,20H2,1-11H3,(H,44,53)/b15-14+,18-17+,22-16-/t21-,23+,24+,25+,29-,35-,36+,39+,43-/m0/s1
• InChIKey: VFYNXKZVOUXHDX-VDPUEHCXSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 976.8±65.0°C at 760 mmHg (Cal.)
• Flash point: 544.6±34.3°C (Cal.)