6-Deoxyerythromycin A
[CAS# 135361-13-6]

Identification

• Name: 6-Deoxyerythromycin A
• Synonyms: (3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-12,13-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Ethyl-12,13-Dihydroxy-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5R,6S,7S,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-12,13-Dihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone
• Molecular Formula: C₃₇H₆₇NO₁₂
• Molecular Weight: 717.94
• CAS Registry Number: 135361-13-6
• SMILES: [C@@H]3(O[C@H]2[C@@H]([C@@H](O[C@@H]1O[C@@H](C[C@H](N(C)C)[C@H]1O)C)[C@H](C[C@H](C(=O)[C@@H]([C@@H](O)[C@](O)([C@H](OC(=O)[C@@H]2C)CC)C)C)C)C)C)O[C@H]([C@H](O)[C@](OC)(C3)C)C
• InChI: 1S/C37H67NO12/c1-14-26-37(10,44)32(41)21(5)28(39)18(2)15-19(3)30(50-35-29(40)25(38(11)12)16-20(4)46-35)22(6)31(23(7)34(43)48-26)49-27-17-36(9,45-13)33(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19+,20-,21+,22-,23-,24+,25+,26-,27+,29-,30+,31+,32-,33+,35+,36-,37-/m1/s1
• InChIKey: ZUGIGWIPEYNYJV-FZWPAWTOSA-N

Properties

• Density: 1.176g/cm³ (Cal.)
• Boiling point: 794.334°C at 760 mmHg (Cal.)
• Flash point: 434.198°C (Cal.)