3''-O-Demethyl-6-O-[2,3,6-Trideoxy-3-(Dimethylamino)-alpha-L-Ribo-Hexopyranosyl]-Erythromycin
[CAS# 28022-11-9]

Identification

• Name: 3''-O-Demethyl-6-O-[2,3,6-Trideoxy-3-(Dimethylamino)-alpha-L-Ribo-Hexopyranosyl]-Erythromycin
• Synonyms: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-7-[(2S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-12,13-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-7-[[(2S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Ethyl-12,13-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-[(2R,4R,5S,6S)-4,5-Dihydroxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-7-[(2S,4R,5R,6S)-4-Dimethylamino-5-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-12,13-Dihydroxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone
• Molecular Formula: C₄₄H₈₀N₂O₁₅
• Molecular Weight: 877.12
• CAS Registry Number: 28022-11-9
• SMILES: [C@@]4(O[C@@H]1O[C@H]([C@H](O)[C@H](N(C)C)C1)C)([C@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@H]([C@H](O[C@@H]3O[C@H]([C@H](O)[C@](O)(C3)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C(=O)[C@@H](C4)C)C)C)CC)=O)C)C)C
• InChI: 1S/C44H80N2O15/c1-16-30-44(11,54)37(50)23(4)33(47)21(2)19-43(10,61-31-18-29(46(14)15)34(48)26(7)56-31)39(60-41-35(49)28(45(12)13)17-22(3)55-41)24(5)36(25(6)40(52)58-30)59-32-20-42(9,53)38(51)27(8)57-32/h21-32,34-39,41,48-51,53-54H,16-20H2,1-15H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,36+,37-,38+,39-,41+,42-,43-,44-/m1/s1
• InChIKey: LRWRQTMTYVZKQW-WWDNQWNISA-N

Properties

• Density: 1.232g/cm³ (Cal.)
• Boiling point: 919.742°C at 760 mmHg (Cal.)
• Flash point: 510.042°C (Cal.)