CAS 1356841-89-8 appears in our catalog under these names: Tacrolimus-13C-d2, FK-506-13C,D2 (Major) (Tacrolimus) (>85%), FK-506-13C,D2 (Major) (Tacrolimus)(>85%), FK–506–13C–d2, Tacrolimus-13C,D2. Offered by: Chemat Brand, TRC, GLPBio, TargetMol, Biosynth. Available pack sizes: on request, 0,5mg, 2,5mg, 500ug, 1mg, 1 mg.
(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-(3,3-dideuterio(313C)prop-2-enyl)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CAS 1356841-89-8) is a chemical compound with the molecular formula C44H69NO12 and a molecular weight of 807.0 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-(3,3-dideuterio(313C)prop-2-enyl)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone. InChIKey: QJJXYPPXXYFBGM-OTZVSDQDSA-N.
| Molecular formula | C44H69NO12 |
|---|---|
| Molecular weight | 807.0 g/mol |
| IUPAC name | (1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-(3,3-dideuterio(313C)prop-2-enyl)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone |
| InChIKey | QJJXYPPXXYFBGM-OTZVSDQDSA-N |
| SMILES | [2H][13C](=CC[C@@H]1/C=C(\C[C@@H](C[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@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)/C)[2H] |
Computed by PubChem (NCBI)