Docetaxel Impurity 37

cas: 159262-93-8 — see every product listed under this CAS number, including other names

Docetaxel Impurity 37 (CAS 159262-93-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-D032037
cas159262-93-8
sizeon request
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Structural formula: {0} (CAS {1})

5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate (CAS 159262-93-8) is a chemical compound with the molecular formula C46H57NO14 and a molecular weight of 847.9 g/mol. IUPAC name: 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate. InChIKey: CIUBIUNKJIOPPY-TYRUGJKKSA-N.

Identity
Molecular formulaC46H57NO14
Molecular weight847.9 g/mol
IUPAC name5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
InChIKeyCIUBIUNKJIOPPY-TYRUGJKKSA-N
SMILESCC1=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]1OC(=O)[C@H]5[C@@H](N(C(O5)(C)C)C(=O)OC(C)(C)C)C6=CC=CC=C6)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O

Computed by PubChem (NCBI)

Synonyms: Docetaxel Impurity 37
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C46H57NO14

Also listed as

Cabazitaxel Impurity (DeTroc-oxazolidine) Chemat Brand CAS 159262-93-8
13-{((3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl)formyl}-10-deacetyl Baccatin III TRC CAS 159262-93-8