Products 104987-16-8
CAS 104987-16-8 appears in our catalog under these names: Tacrolimus impurity 8, Tacrolimus Diene Impurity, Tacrolimus EP Impurity I (Tacrolimus Diene), Tacrolimus Impurity 4（Tacrolimus EP Impurity I ）（Tacrolimus Diene）, Δ23-FK-506(>90%). Offered by: MedChemExpress, Chemat Brand, Hubei YoungXin, TRC, Biosynth. Available pack sizes: Get quote, on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg.
(1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone (CAS 104987-16-8) is a chemical compound with the molecular formula C44H67NO11 and a molecular weight of 786.0 g/mol. IUPAC name: (1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone. InChIKey: PLHJNIVKYISEQW-ADGUVUBISA-N.
| Molecular formula | C44H67NO11 |
|---|---|
| Molecular weight | 786.0 g/mol |
| IUPAC name | (1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone |
| InChIKey | PLHJNIVKYISEQW-ADGUVUBISA-N |
| SMILES | C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)[C@@H](/C=C(/C1)\C)CC=C)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC |
Computed by PubChem (NCBI)
Synonyms:
Tacrolimus diene, delta23-FK-506, 23,24-Anhydro tacrolimus, TACROLIMUS MONOHYDRATE IMPURITY I [EP IMPURITY], Tacrolimus impurity, tacrolimus diene-(USP), Tacrolimus impurity, tacrolimus diene-[USP], TACROLIMUS MONOHYDRATE IMPURITY I (EP IMPURITY), TACROLIMUS IMPURITY, TACROLIMUS DIENE-(USP IMPURITY), TACROLIMUS IMPURITY, TACROLIMUS DIENE-[USP IMPURITY], Tacrolimus impurity, tacrolimus diene- [USP]