4-Deacetyl-4-O-Isobutyrylkinamycin C
[CAS# 120901-49-7]

Identification

• Name: 4-Deacetyl-4-O-Isobutyrylkinamycin C
• Synonyms: [(1S,3S,4R)-1,2-Diacetoxy-5-Cyano-3,7-Dihydroxy-3-Methyl-6,11-Dioxo-2,4-Dihydro-1H-Benzo[H]Carbazol-4-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(1S,3S,4R)-1,2-Diacetoxy-5-Cyano-3,7-Dihydroxy-3-Methyl-6,11-Dioxo-2,4-Dihydro-1H-Benzo[H]Carbazol-4-Yl] Ester; 2-Methylpropionic Acid [(1S,3S,4R)-1,2-Diacetoxy-5-Cyano-3,7-Dihydroxy-6,11-Diketo-3-Methyl-2,4-Dihydro-1H-Benzo[H]Carbazol-4-Yl] Ester
• Molecular Formula: C₂₆H₂₄N₂O₁₀
• Molecular Weight: 524.48
• CAS Registry Number: 120901-49-7
• SMILES: [C@@H]4(C1=C([N](C3=C1C(C2=CC=CC(=C2C3=O)O)=O)C#N)[C@@H](OC(C(C)C)=O)[C@](C4OC(=O)C)(C)O)OC(=O)C
• InChI: 1S/C26H24N2O10/c1-10(2)25(34)38-23-19-17(22(36-11(3)29)24(26(23,5)35)37-12(4)30)16-18(28(19)9-27)21(33)15-13(20(16)32)7-6-8-14(15)31/h6-8,10,22-24,31,35H,1-5H3/t22-,23+,24?,26-/m0/s1
• InChIKey: AXAYEQMDEPTHTO-SJIZWNSKSA-N