2'-O-Benzoylpaclitaxel

cas: 158948-97-1 — see every product listed under this CAS number, including other names

2'-O-Benzoylpaclitaxel (CAS 158948-97-1) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-B001005-100MG
cas158948-97-1
size100mg
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-benzoyloxy-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 (CAS 158948-97-1) is a chemical compound with the molecular formula C54H55NO15 and a molecular weight of 958.0 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-benzoyloxy-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. InChIKey: QOCMQSDZZSUFJR-PUFPEYIYSA-N.

Identity
Molecular formulaC54H55NO15
Molecular weight958.0 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-benzoyloxy-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
InChIKeyQOCMQSDZZSUFJR-PUFPEYIYSA-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]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C

Computed by PubChem (NCBI)