Spiramycin adipate
[CAS# 76748-69-1]

Identification

• Name: Spiramycin adipate
• Synonyms: Adipic Acid; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10-[(5S,6R)-5-Dimethylamino-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; Adipic Acid; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[[(2S,3R,4R,5S,6R)-5-[[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-10-[[(5S,6R)-5-Dimethylamino-6-Methyl-2-Tetrahydropyranyl]Oxy]-4-Hydroxy-5-Methoxy-9,16-Dimethyl-2-Oxo-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde; Adipic Acid; 2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-10-[(5S,6R)-5-Dimethylamino-6-Methyl-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-2-Keto-5-Methoxy-9,16-Dimethyl-1-Oxacyclohexadeca-11,13-Dien-7-Yl]Acetaldehyde
• Molecular Formula: C₄₉H₈₄N₂O₁₈
• Molecular Weight: 989.21
• CAS Registry Number: 76748-69-1
• SMILES: [C@H]4(N(C)C)[C@H](O[C@@H]1O[C@H]([C@H](O)[C@](O)(C1)C)C)[C@H](O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(O[C@@H](C/C=C/C=C/[C@H](OC2O[C@@H]([C@@H](N(C)C)CC2)C)[C@@H](C[C@@H]3CC=O)C)C)=O)[C@@H]4O)C.C(C(O)=O)CCCC(O)=O
• InChI: 1S/C43H74N2O14.C6H10O4/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34;7-5(8)3-1-2-4-6(9)10/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3;1-4H2,(H,7,8)(H,9,10)/b13-12+,16-14+;/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34?,35+,36-,37-,38-,39+,40+,41+,42+,43-;/m1./s1
• InChIKey: PLQDGTZICFBBSO-DPUAUXBSSA-N