Products 1708118-13-1
CAS 1708118-13-1 appears in our catalog under these names: Everolimus Impurity 3 (012-99), Everolimus Impurity 26, Everolimus Ring-Opening Impurity (Mixture of Isomers), Everolimus Impurity 2, Everolimus Retroaldol Degradation Product. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 1mg, 5mg.
[(E,2R,3S,6R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl] (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate (CAS 1708118-13-1) is a chemical compound with the molecular formula C53H83NO14 and a molecular weight of 958.2 g/mol. IUPAC name: [(E,2R,3S,6R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl] (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate. InChIKey: IWYZQBWTMLODNQ-CTQWDHTPSA-N.
| Molecular formula | C53H83NO14 |
|---|---|
| Molecular weight | 958.2 g/mol |
| IUPAC name | [(E,2R,3S,6R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]-2,6,8-trimethyl-5,9-dioxonon-7-en-3-yl] (2S)-1-[2-[(2R,3R,6S)-6-[(2S,3E,5E,7E,9S,11R)-2,13-dimethoxy-3,9,11-trimethyl-12-oxotrideca-3,5,7-trienyl]-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate |
| InChIKey | IWYZQBWTMLODNQ-CTQWDHTPSA-N |
| SMILES | C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)/C=O)[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)OCCO)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)COC)/C)OC |
Computed by PubChem (NCBI)