Erythromycin A 11,12-Carbonate L-Aspartate
[CAS# 55171-82-9]

Identification

• Name: Erythromycin A 11,12-Carbonate L-Aspartate
• Synonyms: (2R)-2-Aminobutanedioic Acid; (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-9-Hydroxy-6-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-1,5,7,9,11,13-Hexamethyl-3,15,17-Trioxabicyclo[12.3.0]Heptadecane-4,12,16-Trione; (2R)-2-Aminobutanedioic Acid; (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-9-Hydroxy-6-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-1,5,7,9,11,13-Hexamethyl-3,15,17-Trioxabicyclo[12.3.0]Heptadecane-4,12,16-Trione; (2R)-2-Aminosuccinic Acid; (1R,2R,5R,6S,7S,9R,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-9-Hydroxy-6-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-1,5,7,9,11,13-Hexamethyl-3,15,17-Trioxabicyclo[12.3.0]Heptadecane-4,12,16-Trione
• Molecular Formula: C₄₂H₇₂N₂O₁₈
• Molecular Weight: 893.03
• CAS Registry Number: 55171-82-9
• SMILES: [C@H]14OC(O[C@@]1([C@H](OC(=O)[C@@H]([C@@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@@H](C(O[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C)[C@](O)(C[C@H](C(=O)[C@@H]4C)C)C)C)C)CC)C)=O.[C@H](N)(C(=O)O)CC(=O)O
• InChI: 1S/C38H65NO14.C4H7NO4/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26;5-2(4(8)9)1-3(6)7/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3;2H,1,5H2,(H,6,7)(H,8,9)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31?,32-,34+,36-,37-,38-;2-/m11/s1
• InChIKey: ULTGIAYPXSUURB-GWDFWZKWSA-N

Properties

• Boiling point: 859.8°C at 760 mmHg (Cal.)
• Flash point: 473.8°C (Cal.)