Products 1412898-68-0

CAS 1412898-68-0 is the registry number for Docetaxel Impurity 62. Offered by: Chemat Brand. Available pack sizes: on request.

Docetaxel Impurity 62
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7S,9R,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-8,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 1412898-68-0) is a chemical compound with the molecular formula C43H51NO15 and a molecular weight of 821.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7S,9R,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-8,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: FNNBOGRAQOBUFT-JHNGNYFLSA-N.

Identity
Molecular formulaC43H51NO15
Molecular weight821.9 g/mol
IUPAC name[(1S,2S,3R,4S,7S,9R,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-8,11-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyFNNBOGRAQOBUFT-JHNGNYFLSA-N
SMILESCC1=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=CC=C4)NC(=O)OC(C)(C)C)O)O)OC(=O)C5=CC=CC=C5)[C@@]6(CO[C@@H]6C(=O)[C@@H]3O)OC(=O)C)C)O

Computed by PubChem (NCBI)

Synonyms: 6-Oxo Docetaxel