Serirubicin
[CAS# 94593-72-3]

Identification

• Name: Serirubicin
• Synonyms: Cytorhodin A, 4(Sup C),4(Sup F),6-Trideoxy-2(Sup C),3(Sup B):2(Sup F),3(Sup F)-Diepoxy-4(Sup C),4(Sup F)-Dioxo-, (2(Sup C)S,2(Sup F)S,3(Sup B)S,3(Sup E)S)-; Serirubicin; Antibiotic Tmf 518C
• Molecular Formula: C₆₀H₈₀N₂O₂₁
• Molecular Weight: 1165.29
• CAS Registry Number: 94593-72-3
• SMILES: C2=C1C(CC(C(C1=C(C3=C2C(=O)C4=C(C3=O)C=CC=C4O)O)OC8OC(C(OC7CC6OC5CC(=O)C(OC5OC6C(O7)C)C)C(C8)N(C)C)C)(O)CC)OC9CC(N(C)C)C(C(O9)C)OC%12CC%11OC%10CC(=O)C(OC%10OC%11C(O%12)C)C
• InChI: 1S/C60H80N2O21/c1-12-60(69)23-42(78-43-17-33(61(8)9)53(26(4)70-43)79-45-21-38-55(28(6)72-45)82-58-40(76-38)19-36(64)24(2)74-58)31-16-32-48(50(66)30-14-13-15-35(63)47(30)51(32)67)52(68)49(31)57(60)81-44-18-34(62(10)11)54(27(5)71-44)80-46-22-39-56(29(7)73-4
• InChIKey: VDYRODQNFIGGDP-UHFFFAOYSA-N

Properties

• Density: 1.422g/cm³ (Cal.)