CAS 157230-10-9 appears in our catalog under these names: 6-alfa,3'-p-Dihydroxy Paclitaxel, 6Alpha,3'-p-Dihydroxy Paclitaxel, >95% (HPLC), 6Alpha,3'-p-Dihydroxy Paclitaxel (1mg/mL in Dimethyl Sulfoxide). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 1mg, 1x1ml.
[(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 157230-10-9) is a chemical compound with the molecular formula C47H51NO16 and a molecular weight of 885.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: NEGGNAWLXHJUEM-FJMWQILYSA-N.
| Molecular formula | C47H51NO16 |
|---|---|
| Molecular weight | 885.9 g/mol |
| IUPAC name | [(1S,2S,3R,4S,7R,8S,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate |
| InChIKey | NEGGNAWLXHJUEM-FJMWQILYSA-N |
| SMILES | CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=C(C=C4)O)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)[C@@]7(CO[C@@H]7[C@H]([C@@H]3O)O)OC(=O)C)C)OC(=O)C |
Computed by PubChem (NCBI)