Products 173101-47-8

CAS 173101-47-8 appears in our catalog under these names: Paclitaxel Impurity 66, 10-Deacetyl Paclitaxel Propyl Analogue, N-Debenzoyl-N-butanoyl-10-deacetylpaclitaxel. Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 50mg, 100mg.

Paclitaxel Impurity 66
Chemat Brand
  • size: on request
  • Variants: 1
View product
10-Deacetyl Paclitaxel Propyl Analogue
Chemat Brand
  • size: on request
  • Variants: 1
View product
N-Debenzoyl-N-butanoyl-10-deacetylpaclitaxel
TRC, Biosynth
  • size: 50mg, 100mg
  • Variants: 3
View product
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate (CAS 173101-47-8) is a chemical compound with the molecular formula C42H51NO13 and a molecular weight of 777.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate. InChIKey: WIEAOVPVSUSLBQ-QHPQOPOXSA-N.

Identity
Molecular formulaC42H51NO13
Molecular weight777.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKeyWIEAOVPVSUSLBQ-QHPQOPOXSA-N
SMILESCCCC(=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)

Synonyms: Paclitaxel Impurity 66