Arugomycin
[CAS# 88465-80-9]

Identification

• Name: Arugomycin
• Synonyms: arugomycin; BRN 4507189
• Molecular Formula: C₈₀H₁₁₂N₂O₃₇
• Molecular Weight: 1693.74
• CAS Registry Number: 88465-80-9
• SMILES: [O-][N+](=O)C2(C)CC(OC(C)C2OC1OC(C)C(O)C(OC)C1)OC3C(O)CC(OC3C)OC%13C(N(C)C)C(O)C%12Oc5c(cc(O)c6C(=O)c4c(O)c%11c(cc4C(=O)c56)C(C(=O)OC)C(O)(C)CC%11OC%10OC(C)C(OC9OC(C)C(OC8OC(C)C(OC7OC(C)C(OC(=O)\C=C\C(=O)O)C(OC)C7)C(OC)C8)C(O)C9)C(OC)C%10)C%13(O%12)C
• InChI: 1S/C80H112N2O37/c1-30-63(89)43(98-13)24-55(103-30)116-74-36(7)109-56(29-78(74,8)82(96)97)115-69-32(3)105-51(23-42(69)85)117-75-62(81(11)12)67(93)77-118-73-39(80(75,10)119-77)21-40(83)59-60(73)64(90)38-20-37-57(65(91)58(38)66(59)92)47(28-79(9,95)61(37)76(94)102-17)110-52-25-45(100-15)71(34(5)106-52)113-50-22-41(84)68(31(2)104-50)112-53-27-46(101-16)72(35(6)108-53)114-54-26-44(99-14)70(33(4)107-54)111-49(88)19-18-48(86)87/h18-21,30-36,41-47,50-56,61-63,67-72,74-75,77,83-85,89,91,93,95H,22-29H2,1-17H3,(H,86,87)/b19-18+
• InChIKey: MWGPOKWHXRTZII-VHEBQXMUSA-N

Properties

• Density: 1.473g/cm³ (Cal.)