Selamectin Impurity EP D

cas: 301849-46-7 — see every product listed under this CAS number, including other names

Selamectin Impurity EP D (CAS 301849-46-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULS064005
cas301849-46-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

(1R,4S,5'S,6R,6'S,8R,12S,13S,20R,21E,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one (CAS 301849-46-7) is a chemical compound with the molecular formula C50H75NO14 and a molecular weight of 914.1 g/mol. IUPAC name: (1R,4S,5'S,6R,6'S,8R,12S,13S,20R,21E,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one. InChIKey: OBEKFICJGVXDKU-UADBFOMMSA-N.

Identity
Molecular formulaC50H75NO14
Molecular weight914.1 g/mol
IUPAC name(1R,4S,5'S,6R,6'S,8R,12S,13S,20R,21E,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChIKeyOBEKFICJGVXDKU-UADBFOMMSA-N
SMILESC[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)CC=C([C@H]([C@H](C=CC=C4CO[C@H]\5[C@@]4([C@@H](C=C(/C5=N\O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)C)O[C@@H]1C8CCCCC8

Computed by PubChem (NCBI)

Synonyms: 4'-O-2,6-Dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl Selamectin, Selamectin EP Impurity D
Isomers (same molecular formula)
N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide C50H75NO14
N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]-N-methylformamide C50H75NO14

Also listed as

4'-O-2,6-Dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl Selamectin, >95% (HPLC) TRC CAS 301849-46-7
4'-O-2,6-Dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl Selamectin, >95% (HPLC) TRC CAS 301849-46-7