Products 135393-42-9

CAS 135393-42-9 is the registry number for Paclitaxel Impurity 75. Offered by: Chemat Brand. Available pack sizes: on request.

Paclitaxel Impurity 75
Chemat Brand
  • size: on request
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,5S,7S,8S,10R,13S)-10-acetyloxy-4-(acetyloxymethyl)-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,4,5,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate (CAS 135393-42-9) is a chemical compound with the molecular formula C47H53NO15 and a molecular weight of 871.9 g/mol. IUPAC name: [(1S,2S,3R,4S,5S,7S,8S,10R,13S)-10-acetyloxy-4-(acetyloxymethyl)-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,4,5,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate. InChIKey: IQYMRGIQFZZVCP-SJBOGKINSA-N.

Identity
Molecular formulaC47H53NO15
Molecular weight871.9 g/mol
IUPAC name[(1S,2S,3R,4S,5S,7S,8S,10R,13S)-10-acetyloxy-4-(acetyloxymethyl)-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,4,5,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate
InChIKeyIQYMRGIQFZZVCP-SJBOGKINSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(COC(=O)C)O)O)O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Paclitaxel Impurity 75
Isomers (same molecular formula)
[(1S,2S,3R,4S,5S,7S,8S,10R,13S)-5,10-diacetyloxy-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,2,4,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-4-tricyclo[9.3.1.03,8]pentadec-11-enyl]methyl benzoate C47H53NO15