De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-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: ME-34|ME 34|EM-522|De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal|(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one|8,9-Didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxyerythromycin|Erythromycin, 8,9-didehydro-N-demethyl-9-deoxo-6-deoxy-6,9-epoxy-|3 -N-Demethyl-6-deoxy-9-deoxo-8,9-didehydro-6,9-epoxyerythromycin|(6R)-3 -N-Demethyl-6,9-epoxy-6-deoxy-9-deoxo-8,9-didehydroerythromycin|(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-11-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one|6beta,9-Epoxy-8,9-didehydro-9-deoxo-6-deoxy-3 -des(dimethylamino)-3 -methylaminoerythromycin
| Molecular Formula | C36H63NO12 |
|---|---|
| Molecular Weight | 701.435 g/mol |
| LogP | 2.55 |
| Topological Polar Surface Area | 174.63 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 701.435 |
| Heavy Atoms | 49 |
| Complexity | 1182.7 |
Chemical Identifiers
| CAS Number | 98641-05-5 |
|---|---|
| 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)NC)O)C)C)C)O)(C)O |
Product Overview
De-(N-methyl)-8,9-anhydroerythromycin A 6,9-hemicetal (CAS 98641-05-5), with molecular formula C36H63NO12 and molecular weight 701.435 g/mol. IUPAC: (2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-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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