Products 133577-32-9
CAS 133577-32-9 appears in our catalog under these names: (2R,3R)-Docetaxel (3'-epi-Docetaxel), 3’-epi-Docetaxel. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.
[(2S,3S,4S,7S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3R)-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] benzoate (CAS 133577-32-9) is a chemical compound with the molecular formula C43H53NO14 and a molecular weight of 807.9 g/mol. IUPAC name: [(2S,3S,4S,7S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3R)-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] benzoate. InChIKey: ZDZOTLJHXYCWBA-AZVSSLQKSA-N.
| Molecular formula | C43H53NO14 |
|---|---|
| Molecular weight | 807.9 g/mol |
| IUPAC name | [(2S,3S,4S,7S,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3R)-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] benzoate |
| InChIKey | ZDZOTLJHXYCWBA-AZVSSLQKSA-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)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O |
Computed by PubChem (NCBI)
Synonyms:
3'-epi-Docetaxel