9-Deoxo-12-deoxy-9,12-epoxyerythromycin
[CAS# 134108-11-5]

Identification

• Name: 9-Deoxo-12-deoxy-9,12-epoxyerythromycin
• Synonyms: (9S)-9-Deoxo-12-deoxy-9,12-epoxyerythromycin; 9-Deoxo-12-deoxy-9,12-epoxyerythromycin; Erythromycin, 9-deoxo-12-deoxy-9,12-epoxy-, (9S)-
• Molecular Formula: C₃₇H₆₅NO₁₂
• Molecular Weight: 715.91
• CAS Registry Number: 134108-11-5
• SMILES: O=C1[C@@H](C)[C@@H]4O[C@]1(C)[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)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)C(O)(C)C[C@@H]4C)C)CC
• InChI: 1S/C37H65NO12/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/h18-29,31-32,34,39,41,43H,14-17H2,1-13H3/t18-,19+,20-,21-,22+,23-,24-,25-,26-,27+,28+,29-,31-,32+,34-,35?,36+,37+/m0/s1
• InChIKey: SLHPXIYHGWPYGO-QYVRMBTJSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 796.428°C at 760 mmHg (Cal.)
• Flash point: 435.464°C (Cal.)
• Refractive index: 1.532 (Cal.)