(3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro -2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
[CAS# 86976-45-6]

Identification

• Name: (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro -2H-pyran-2-yl]oxy}-7-methoxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione
• Synonyms: 12-Deoxy-6-O-methylerythromycin; 6-O-Methylerythromycin B
• Molecular Formula: C₃₈H₆₉NO₁₂
• Molecular Weight: 731.95
• CAS Registry Number: 86976-45-6
• SMILES: O=C3O[C@H](CC)[C@H](C)[C@H](O)[C@H](C(=O)[C@H](C)C[C@](OC)(C)[C@H](O[C@@H]1O[C@H](C)C[C@H](N(C)C)[C@H]1O)[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@](OC)(C2)C)C)[C@H]3C)C)C
• InChI: 1S/C38H69NO12/c1-15-27-21(4)30(41)22(5)29(40)19(2)17-38(10,46-14)34(51-36-31(42)26(39(11)12)16-20(3)47-36)23(6)32(24(7)35(44)49-27)50-28-18-37(9,45-13)33(43)25(8)48-28/h19-28,30-34,36,41-43H,15-18H2,1-14H3/t19-,20-,21+,22+,23+,24-,25+,26+,27-,28+,30+,31-,32+,33+,34-,36+,37-,38-/m1/s1
• InChIKey: BYPDALIVDZXKRQ-FLPVFBBVSA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 794.818°C at 760 mmHg (Cal.)
• Flash point: 434.49°C (Cal.)