Paclitaxel Impurity 52, 10-Deacetyl Paclitaxel Ethyl Analogue

cas: 173101-59-2 — see every product listed under this CAS number, including other names

Paclitaxel Impurity 52, 10-Deacetyl Paclitaxel Ethyl Analogue (CAS 173101-59-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-P812552
cas173101-59-2
sizeon request
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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 173101-59-2) is a chemical compound with the molecular formula C41H49NO13 and a molecular weight of 763.8 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: ZOIZSANARCWOGD-ANYOQAFTSA-N.

Identity
Molecular formulaC41H49NO13
Molecular weight763.8 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyZOIZSANARCWOGD-ANYOQAFTSA-N
SMILESCCC(=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)O)C)OC(=O)C6=CC=CC=C6)O)O

Computed by PubChem (NCBI)

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