3-O-Isobutyrylkinamycin C
[CAS# 120901-48-6]

Identification

• Name: 3-O-Isobutyrylkinamycin C
• Synonyms: [(1S,3S,4S)-1,2,4-Triacetoxy-5-Cyano-7-Hydroxy-3-Methyl-6,11-Dioxo-2,3-Dihydro-1H-Benzo[H]Carbazol-4-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(1S,3S,4S)-1,2,4-Triacetoxy-5-Cyano-7-Hydroxy-3-Methyl-6,11-Dioxo-2,3-Dihydro-1H-Benzo[H]Carbazol-4-Yl] Ester; 2-Methylpropionic Acid [(1S,3S,4S)-1,2,4-Triacetoxy-5-Cyano-7-Hydroxy-6,11-Diketo-3-Methyl-2,3-Dihydro-1H-Benzo[H]Carbazol-4-Yl] Ester
• Molecular Formula: C₂₈H₂₆N₂O₁₁
• Molecular Weight: 566.52
• CAS Registry Number: 120901-48-6
• SMILES: [C@@H]4(C1=C([N](C3=C1C(C2=CC=CC(=C2C3=O)O)=O)C#N)[C@@](OC(C(C)C)=O)([C@H](C4OC(=O)C)C)OC(=O)C)OC(=O)C
• InChI: 1S/C28H26N2O11/c1-11(2)27(37)41-28(40-15(6)33)12(3)24(38-13(4)31)25(39-14(5)32)20-19-21(30(10-29)26(20)28)23(36)18-16(22(19)35)8-7-9-17(18)34/h7-9,11-12,24-25,34H,1-6H3/t12-,24?,25-,28-/m0/s1
• InChIKey: HBEPDPXCRYTVGE-UAVNIJPGSA-N