(1R,2S,5R,6S,7S,11S)-8-{[(2S,3R,4S)-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-2-Ethyl-9-Hydroxy-6-{[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}- 1,5,7,9,11,13-Hexamethyl-3,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-4,14-Dione
[CAS# 131418-65-0]

Identification

• Name: (1R,2S,5R,6S,7S,11S)-8-{[(2S,3R,4S)-4-(Dimethylamino)-3-Hydroxy-6-Methyltetrahydro-2H-Pyran-2-Yl]Oxy}-2-Ethyl-9-Hydroxy-6-{[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyltetrahydro-2H-Pyran-2-Yl]Oxy}- 1,5,7,9,11,13-Hexamethyl-3,15-Dioxabicyclo[10.2.1]Pentadec-12-Ene-4,14-Dione
• Synonyms: 9,10-Didehydro-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxoerythromycin; Erythromycin, 9,10-didehydro-9-deoxo-11,12-dideoxy-9,12-epoxy-11-oxo-
• Molecular Formula: C₃₇H₆₃NO₁₂
• Molecular Weight: 713.90
• CAS Registry Number: 131418-65-0
• SMILES: O=C1\C(=C4/O[C@]1(C)[C@@H](OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@](OC)(C)C2)[C@H](C)C(O[C@@H]3OC(C)C[C@H](N(C)C)[C@H]3O)C(O)(C)C[C@@H]4C)CC)C
• InChI: 1S/C37H63NO12/c1-14-25-37(10)30(40)20(4)28(50-37)18(2)16-35(8,43)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-36(9,44-13)31(41)23(7)46-26/h18-19,21-27,29,31-32,34,39,41,43H,14-17H2,1-13H3/t18-,19?,21-,22+,23-,24-,25-,26-,27+,29-,31-,32?,34-,35?,36+,37+/m0/s1
• InChIKey: SZZIJYBWFJCYOX-SJCUUROJSA-N

Properties

• Density: 1.206g/cm³ (Cal.)
• Boiling point: 811.12°C at 760 mmHg (Cal.)
• Flash point: 444.349°C (Cal.)
• Refractive index: 1.539 (Cal.)