Products 153415-45-3
CAS 153415-45-3 appears in our catalog under these names: Paclitaxel Impurity 3（Paclitaxel EP Impurity C）, Paclitaxel EP Impurity C, Paclitaxel C, Paclitaxel C, Taxol C/ 99.18% (existing batch purity). Offered by: Hubei YoungXin, Chemat Brand, TRC, GLPBio, TargetMol. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg, on request, 1mg, 5mg.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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 153415-45-3) is a chemical compound with the molecular formula C46H57NO14 and a molecular weight of 847.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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: BEHTXUBGUDGCNQ-IEAAAIHOSA-N.
| Molecular formula | C46H57NO14 |
|---|---|
| Molecular weight | 847.9 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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 | BEHTXUBGUDGCNQ-IEAAAIHOSA-N |
| SMILES | CCCCCC(=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)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O |
Computed by PubChem (NCBI)