Products 1412898-66-8
CAS 1412898-66-8 appears in our catalog under these names: Docetaxel Impurity 1, 2-Debenzoyl-2-Pentenoyl Docetaxel, Docetaxel Impurity 13（2-Debenzoyl-2-pentenoyl Docetaxel）, 2-Debenzoyl-2-pentenoyldocetaxel, >95% (HPLC). Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pent-4-enoate (CAS 1412898-66-8) is a chemical compound with the molecular formula C41H55NO14 and a molecular weight of 785.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pent-4-enoate. InChIKey: YATCJQWNKUIXRR-MVSNYNITSA-N.
| Molecular formula | C41H55NO14 |
|---|---|
| Molecular weight | 785.9 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pent-4-enoate |
| InChIKey | YATCJQWNKUIXRR-MVSNYNITSA-N |
| SMILES | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)CCC=C)(CO4)OC(=O)C)O)C)O |
Computed by PubChem (NCBI)