CAS 114915-19-4 appears in our catalog under these names: Cephalomannine Impurity 4, Docetaxel Impurity 41, Docetaxel Impurity 26, 7-(2,2,2-Trichloroethyloxycarbonyl)-10-deacetylbaccatin III. Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 114915-19-4) is a chemical compound with the molecular formula C32H37Cl3O12 and a molecular weight of 720.0 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: OPWQSSWMTQJNMY-VXUMUFIHSA-N.
| Molecular formula | C32H37Cl3O12 |
|---|---|
| Molecular weight | 720.0 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChIKey | OPWQSSWMTQJNMY-VXUMUFIHSA-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]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C)O |
Computed by PubChem (NCBI)