Products 177556-02-4
CAS 177556-02-4 is the registry number for 10-Oxo 7,8-Seco-docetaxel. Offered by: TRC. Available pack sizes: 10mg, 2,5mg, 5mg.
[(1S,2S,3R,4E,9S)-3-[(2R,3S)-3-acetyloxy-2-(2-hydroxyethyl)oxetan-3-yl]-1,5-dihydroxy-9-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-4,8,11,11-tetramethyl-6-oxo-2-bicyclo[5.3.1]undeca-4,7-dienyl] benzoate (CAS 177556-02-4) is a chemical compound with the molecular formula C43H53NO14 and a molecular weight of 807.9 g/mol. IUPAC name: [(1S,2S,3R,4E,9S)-3-[(2R,3S)-3-acetyloxy-2-(2-hydroxyethyl)oxetan-3-yl]-1,5-dihydroxy-9-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-4,8,11,11-tetramethyl-6-oxo-2-bicyclo[5.3.1]undeca-4,7-dienyl] benzoate. InChIKey: JGMTYKDRJDAHSS-YFOBEHBLSA-N.
| Molecular formula | C43H53NO14 |
|---|---|
| Molecular weight | 807.9 g/mol |
| IUPAC name | [(1S,2S,3R,4E,9S)-3-[(2R,3S)-3-acetyloxy-2-(2-hydroxyethyl)oxetan-3-yl]-1,5-dihydroxy-9-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-4,8,11,11-tetramethyl-6-oxo-2-bicyclo[5.3.1]undeca-4,7-dienyl] benzoate |
| InChIKey | JGMTYKDRJDAHSS-YFOBEHBLSA-N |
| SMILES | CC1=C2C(=O)/C(=C(\[C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O)OC(=O)C4=CC=CC=C4)[C@@]5(CO[C@@H]5CCO)OC(=O)C)/C)/O |
Computed by PubChem (NCBI)
Synonyms:
10-Oxo 7,8-Seco-docetaxel