Erythromycin A enol ether
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Also Known As: Erythromycin A enol ether|Erythromycin enol ether|EM-A enolether|Erythromycin EP Impurity E|EM523L|Erythromycin-A enol ether|ME-4|EM-201|8,9-anhydroerythromycin A|ME 4|8,9-anhydroerythromycin A 6,9-hemiketal|BRL 46357ER|BRL-46357ER|Erythromycin A 6,9-enolether|EM 523|GTPL1448|EM 201|EM-523|EM201|EM523|ME523|MSK14276-100M|CAS_33396-29-1|Erythromycin, 8,9-didehydro-9-deoxo-6-deoxy-6,9-epoxy-|ERYTHROMYCIN IMPURITY E [EP IMPURITY]
| Molecular Formula | C37H65NO12 |
|---|---|
| Molecular Weight | 715.4507 g/mol |
| LogP | 2.89 |
| Topological Polar Surface Area | 165.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 715.4507 |
| Heavy Atoms | 50 |
| Complexity | 1212.8 |
Chemical Identifiers
| CAS Number | 33396-29-1 |
|---|---|
| SMILES | CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)C)O)(C)O |
Product Overview
Erythromycin A enol ether (CAS 33396-29-1), with molecular formula C37H65NO12 and molecular weight 715.4507 g/mol. IUPAC: (2R,3R,4S,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one.
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