9,4''-Diacetyl-4''-depropionylmidecamycin
[CAS# 65178-01-0]

Identification

• Name: 9,4''-Diacetyl-4''-depropionylmidecamycin
• Synonyms: [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-Acetoxy-4-Hydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Propanoate; Propanoic Acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-5-Acetoxy-4-Hydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-5-Methoxy-9,16-Dimethyl-2-Oxo-7-(2-Oxoethyl)-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Ester; Propionic Acid [(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-Acetoxy-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-5-Acetoxy-4-Hydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Keto-7-(2-Ketoethyl)-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-4-Yl] Ester
• Molecular Formula: C₄₂H₆₇NO₁₆
• Molecular Weight: 841.99
• CAS Registry Number: 65178-01-0
• SMILES: [C@H]2(O[C@@H]([C@@H](O[C@@H]1O[C@H]([C@H](OC(=O)C)[C@](O)(C1)C)C)[C@H](N(C)C)[C@H]2O)C)O[C@@H]3[C@@H](OC)[C@H](OC(=O)CC)CC(O[C@@H](C/C=C/C=C/[C@H](OC(=O)C)[C@@H](C[C@@H]3CC=O)C)C)=O
• InChI: 1S/C42H67NO16/c1-12-32(47)57-31-21-33(48)52-24(3)16-14-13-15-17-30(55-27(6)45)23(2)20-29(18-19-44)38(39(31)51-11)59-41-36(49)35(43(9)10)37(25(4)54-41)58-34-22-42(8,50)40(26(5)53-34)56-28(7)46/h13-15,17,19,23-26,29-31,34-41,49-50H,12,16,18,20-22H2,1-11H3/b14-13+,17-15+/t23-,24-,25-,26+,29+,30+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
• InChIKey: YLMAKVCEJQGBBH-QECIFPIFSA-N