Niddamycin
[CAS# 20283-69-6]

Identification

• Name: Niddamycin
• Synonyms: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] 2-Methylpropanoate; 2-Methylpropanoic Acid [(2S,3S,4R,6S)-6-[[(2R,3S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2,10-Dioxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-2-Methyl-3-Tetrahydropyranyl]Oxy]-4-Hydroxy-2,4-Dimethyl-3-Tetrahydropyranyl] Ester; 2-Methylpropionic Acid [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-Hydroxy-2,10-Diketo-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-6-Yl]Oxy]-2-Methyl-Tetrahydropyran-3-Yl]Oxy-4-Hydroxy-2,4-Dimethyl-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₉H₆₃NO₁₄
• Molecular Weight: 769.93
• CAS Registry Number: 20283-69-6
• SMILES: [C@H]3(N(C)C)[C@H](O[C@@H]1O[C@H]([C@H](OC(=O)C(C)C)[C@](O)(C1)C)C)[C@H](O[C@@H](O[C@H]2[C@H](C[C@@H](C)C(=O)\C=C\C=C\C[C@H](OC(=O)C[C@@H](O)[C@@H]2OC)C)CC=O)[C@@H]3O)C
• InChI: 1S/C39H63NO14/c1-21(2)37(46)54-36-25(6)50-30(20-39(36,7)47)52-33-24(5)51-38(32(45)31(33)40(8)9)53-34-26(16-17-41)18-22(3)27(42)15-13-11-12-14-23(4)49-29(44)19-28(43)35(34)48-10/h11-13,15,17,21-26,28,30-36,38,43,45,47H,14,16,18-20H2,1-10H3/b12-11+,15-13+/t22-,23-,24-,25+,26+,28-,30+,31-,32-,33-,34+,35+,36+,38+,39-/m1/s1
• InChIKey: REPPNUPKOJKPSP-ZZNWINOMSA-N