(E)-O-Demethylroxithromycin

cas: 261172-58-1 — see every product listed under this CAS number, including other names

(E)-O-Demethylroxithromycin (CAS 261172-58-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-D231258-100MG
cas261172-58-1
size100mg
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Structural formula: {0} (CAS {1})

(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-hydroxyethoxymethoxyimino)-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one (CAS 261172-58-1) is a chemical compound with the molecular formula C40H74N2O15 and a molecular weight of 823.0 g/mol. IUPAC name: (3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-hydroxyethoxymethoxyimino)-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one. InChIKey: YCGKDCMSNWUGGC-LHOBRSKNSA-N.

Identity
Molecular formulaC40H74N2O15
Molecular weight823.0 g/mol
IUPAC name(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-hydroxyethoxymethoxyimino)-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one
InChIKeyYCGKDCMSNWUGGC-LHOBRSKNSA-N
SMILESCC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCOCCO)/[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O

Computed by PubChem (NCBI)

Synonyms: (E)-O-Demethylroxithromycin
Isomers (same molecular formula)
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-4-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one C40H74N2O15
(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-10-(2-methoxyethoxymethoxyimino)-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one C40H74N2O15