Products 940867-25-4
CAS 940867-25-4 appears in our catalog under these names: Docetaxel-d9, Docetaxel-d9, >95% (HPLC), Docetaxel–d9, Docetaxel-d9, 98.65%. Offered by: Chemat Brand, TRC, GLPBio, Biosynth, MedChemExpress. Available pack sizes: on request, 10mg, 1mg, 500μg, 5mg, 25mg, 50mg, 1 mg.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 940867-25-4) is a chemical compound with the molecular formula C43H53NO14 and a molecular weight of 816.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: ZDZOTLJHXYCWBA-ZYSSTJHRSA-N.
| Molecular formula | C43H53NO14 |
|---|---|
| Molecular weight | 816.9 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChIKey | ZDZOTLJHXYCWBA-ZYSSTJHRSA-N |
| SMILES | [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O |
Computed by PubChem (NCBI)