Products 105454-04-4
CAS 105454-04-4 appears in our catalog under these names: 7-Epitaxol, 95%, Paclitaxel EP Impurity E (7-epi Paclitaxel), Paclitaxel Impurity 5（Paclitaxel EP Impurity E）, 7-Epi Paclitaxel, 7-epi-Paclitaxel. Offered by: Combi-blocks, Chemat Brand, Hubei YoungXin, TRC, Mikromol. Available pack sizes: 100mg, on request, 10mg, 25mg, 50mg, 200mg, 5mg, 20mg.
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 105454-04-4) is a chemical compound with the molecular formula C47H51NO14 and a molecular weight of 853.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: RCINICONZNJXQF-LYTKHFMESA-N.
| Molecular formula | C47H51NO14 |
|---|---|
| Molecular weight | 853.9 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChIKey | RCINICONZNJXQF-LYTKHFMESA-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)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C |
Computed by PubChem (NCBI)