Docetaxel EP Impurity A

cas: 1887057-05-7 — see every product listed under this CAS number, including other names

Docetaxel EP Impurity A (CAS 1887057-05-7) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD198
cas1887057-05-7
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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Structural formula: {0} (CAS {1})

[(2S,3R,9S,10S,12S,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate (CAS 1887057-05-7) is a chemical compound with the molecular formula C41H55NO14 and a molecular weight of 785.9 g/mol. IUPAC name: [(2S,3R,9S,10S,12S,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate. InChIKey: AOEGVETYSHPGBP-KFKCZILZSA-N.

Identity
Molecular formulaC41H55NO14
Molecular weight785.9 g/mol
IUPAC name[(2S,3R,9S,10S,12S,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate
InChIKeyAOEGVETYSHPGBP-KFKCZILZSA-N
SMILESC/C=C(\C)/C(=O)O[C@H]1[C@H]2[C@@]([C@H](CC3C2(CO3)OC(=O)C)O)(C(=O)[C@H](C4=C([C@H](CC1(C4(C)C)O)OC(=O)[C@@H](C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)C)O)C

Computed by PubChem (NCBI)

Synonyms: 2-Desbenzoyl-2-tiglyl Docetaxel
Isomers (same molecular formula)
[(1S,2S,3R,4S,7R,9S,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-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pent-4-enoate C41H55NO14

Also listed as

Docetaxel Impurity 1（Docetaxel EP Impurity A） Hubei YoungXin CAS 1887057-05-7
2-Desbenzoyl-2-tiglyl Docetaxel, >95% (HPLC) TRC CAS 1887057-05-7
2-Desbenzoyl-2-tiglyl docetaxel Biosynth CAS 1887057-05-7
2-Desbenzoyl-2-tiglyl Docetaxel, 95%, 95% Chemat CAS 1887057-05-7