Products 857839-61-3

CAS 857839-61-3 appears in our catalog under these names: Erythromycin Impurity 65, Erythromycin Impurity E. Offered by: Chemat Brand. Available pack sizes: on request.

Erythromycin Impurity 65
Chemat Brand
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  • Variants: 1
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Erythromycin Impurity E
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(2R,3R,4S,5R,8R,9S,10S,11R,12S)-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 (CAS 857839-61-3) is a chemical compound with the molecular formula C37H65NO12 and a molecular weight of 715.9 g/mol. IUPAC name: (2R,3R,4S,5R,8R,9S,10S,11R,12S)-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. InChIKey: JFVYXJKGJMUGRG-MGSLXKPGSA-N.

Identity
Molecular formulaC37H65NO12
Molecular weight715.9 g/mol
IUPAC name(2R,3R,4S,5R,8R,9S,10S,11R,12S)-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
InChIKeyJFVYXJKGJMUGRG-MGSLXKPGSA-N
SMILESCC[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

Computed by PubChem (NCBI)

Synonyms: Erythromycin Impurity E, Erythromycin Impurity 65, Erythromycin, 8,9-didehydro-9-deoxo-6-deoxy-6,9-epoxy-, (9S)-
Related forms of this compound
(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 C37H65NO12
Isomers (same molecular formula)
(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one C37H65NO12
(2R,3R,6R,7S,8S,9R,10R)-3-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12-pentamethyl-4,13-dioxabicyclo[8.2.1]tridec-1(12)-en-5-one C37H65NO12