Amycin B
[CAS# 129313-99-1]

Identification

• Name: Amycin B
• Synonyms: Amycin B; Scopafungin, 23-O-de(carboxyacetyl)-8,47-didemethyl-14,49-dimethyl-
• Molecular Formula: C₅₆H₁₀₁N₃O₁₅
• Molecular Weight: 1056.41
• CAS Registry Number: 129313-99-1
• SMILES: O=C1OC(C(C)CC(C)CCC/C=C/CCCNC(=N/C)/N)C(C=CC=CC(O)C(C)C(O)CC(O)CC(O)CC2OC(O)(CC(O)C(C)CCC(O)C(C)C(O)CC(O)C(C=CC(O)C1C)C)C(O)C(O)C2)C
• InChI: 1S/C56H101N3O15/c1-33(18-14-12-10-11-13-17-25-59-55(57)58-9)26-37(5)52-36(4)19-15-16-20-44(62)38(6)48(66)29-42(61)27-41(60)28-43-30-50(68)53(70)56(72,74-43)32-51(69)35(3)22-23-45(63)39(7)49(67)31-47(65)34(2)21-24-46(64)40(8)54(71)73-52/h10-11,15-16,19-21,24,33-53,60-70,72H,12-14,17-18,22-23,25-32H2,1-9H3,(H3,57,58,59)/b11-10+,19-15?,20-16?,24-21?
• InChIKey: PPUSZMZQPGFMIJ-HURQSWDASA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 1134.039°C at 760 mmHg (Cal.)
• Flash point: 639.644°C (Cal.)
• Refractive index: 1.56 (Cal.)