Ivermectin EP Impurity I (4S-Isomer)

cas: 1135339-49-9 — see every product listed under this CAS number, including other names

Ivermectin EP Impurity I (4S-Isomer) (CAS 1135339-49-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I221827
cas1135339-49-9
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Structural formula: {0} (CAS {1})

(4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-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-1(23),10,14,16-tetraene-6,2'-oxane]-2-one (CAS 1135339-49-9) is a chemical compound with the molecular formula C48H74O14 and a molecular weight of 875.1 g/mol. IUPAC name: (4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-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-1(23),10,14,16-tetraene-6,2'-oxane]-2-one. InChIKey: AZSRBVAPBFWEGT-ZWGVILGGSA-N.

Identity
Molecular formulaC48H74O14
Molecular weight875.1 g/mol
IUPAC name(4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,20R,21R,24R)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-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-1(23),10,14,16-tetraene-6,2'-oxane]-2-one
InChIKeyAZSRBVAPBFWEGT-ZWGVILGGSA-N
SMILESCC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(\[C@H]([C@H](/C=C\C=C4CO[C@H]5[C@@]4(C(=CC([C@H]5O)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)C

Computed by PubChem (NCBI)

Synonyms: rac-2,3-Dehydro-3,4-dihydro Ivermectin, (4S)-2,3-Didehydro-5-O-demethyl-3,4,22,23-tetrahydro-avermectin A1a
Isomers (same molecular formula)
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21,24-dihydroxy-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 C48H74O14

Also listed as

Ivermectin Impurity 9（Ivermectin EP Impurity I） Hubei YoungXin CAS 1135339-49-9
2,3–Dehydro–3,4–dihydro Ivermectin GLPBio CAS 1135339-49-9
Ivermectin impurity I Biosynth CAS 1135339-49-9
2,3-Dehydro-3,4-dihydro ivermectin MedChemExpress CAS 1135339-49-9