Products 1030825-28-5
CAS 1030825-28-5 appears in our catalog under these names: Fidaxomicin Metabolite OP-1118, Fidaxomicin Impurity 3, OP-1118. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, 1mg.
[(2S,3R,4R,5R,6S)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate (CAS 1030825-28-5) is a chemical compound with the molecular formula C48H68Cl2O17 and a molecular weight of 987.9 g/mol. IUPAC name: [(2S,3R,4R,5R,6S)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate. InChIKey: MWZWKUKATWMWGS-FXYIDGSOSA-N.
| Molecular formula | C48H68Cl2O17 |
|---|---|
| Molecular weight | 987.9 g/mol |
| IUPAC name | [(2S,3R,4R,5R,6S)-6-[[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-12-[(2R,3S,4S,5S)-3,4,5-trihydroxy-6,6-dimethyloxan-2-yl]oxy-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy]-4-hydroxy-5-methoxy-2-methyloxan-3-yl] 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate |
| InChIKey | MWZWKUKATWMWGS-FXYIDGSOSA-N |
| SMILES | CC[C@H]1/C=C(/[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]2[C@H]([C@H]([C@@H](C(O2)(C)C)O)O)O)\C)\C)[C@@H](C)O)\CO[C@@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)\C |
Computed by PubChem (NCBI)