CAS 134590-88-8 appears in our catalog under these names: [3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-Tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-13,17-epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone, 97%, Tacrolimus Lactone Isomer (Iso-FK-506), Iso-FK-506 (iso-Tacrolimus), >95% (HPLC), Iso-FK-506 (iso-tacrolimus), Tacrolimus impurity 6. Offered by: Chemat Brand, TRC, Biosynth, MedChemExpress. Available pack sizes: on request, 0,5mg, 10mg, 5mg, 1mg, 2mg, Get quote.
(1R,9S,12S,15R,16E,19S,21S,22R,23R,25R)-1-hydroxy-12-[(E,2S,3S)-3-hydroxy-5-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]-4-methylpent-4-en-2-yl]-21,23-dimethoxy-17,19,25-trimethyl-15-prop-2-enyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone (CAS 134590-88-8) is a chemical compound with the molecular formula C44H69NO12 and a molecular weight of 804.0 g/mol. IUPAC name: (1R,9S,12S,15R,16E,19S,21S,22R,23R,25R)-1-hydroxy-12-[(E,2S,3S)-3-hydroxy-5-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]-4-methylpent-4-en-2-yl]-21,23-dimethoxy-17,19,25-trimethyl-15-prop-2-enyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone. InChIKey: YXGKFJMGANONSQ-JJHPLQLISA-N.
| Molecular formula | C44H69NO12 |
|---|---|
| Molecular weight | 804.0 g/mol |
| IUPAC name | (1R,9S,12S,15R,16E,19S,21S,22R,23R,25R)-1-hydroxy-12-[(E,2S,3S)-3-hydroxy-5-[(1R,3S,4R)-4-hydroxy-3-methoxycyclohexyl]-4-methylpent-4-en-2-yl]-21,23-dimethoxy-17,19,25-trimethyl-15-prop-2-enyl-11,26-dioxa-4-azatricyclo[20.3.1.04,9]hexacos-16-ene-2,3,10,14-tetrone |
| InChIKey | YXGKFJMGANONSQ-JJHPLQLISA-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](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)[C@@H](C)[C@@H](/C(=C/[C@@H]4CC[C@H]([C@H](C4)OC)O)/C)O)O)C)OC)OC |
Computed by PubChem (NCBI)