7-Epi Paclitaxel

cas: 105454-04-4 — see every product listed under this CAS number, including other names

7-Epi Paclitaxel (CAS 105454-04-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-E588630-10MG
cas105454-04-4
size10mg
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properties

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Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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 (CAS 105454-04-4) is a chemical compound with the molecular formula C47H51NO14 and a molecular weight of 853.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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. InChIKey: RCINICONZNJXQF-LYTKHFMESA-N.

Identity
Molecular formulaC47H51NO14
Molecular weight853.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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
InChIKeyRCINICONZNJXQF-LYTKHFMESA-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)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 7-Epitaxol, 7-epi-Taxol, Epitaxol, 7-Epipaclitaxel, 7-epi-Paclitaxel, Paclitaxel EP Impurity E, 7-Epi Paclitaxel, 7-Epipaclitaxel?, orb1303347, RCINICONZNJXQF-LYTKHFMESA-N
Related forms of this compound
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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 C47H51NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2,3,4,5,6-pentadeuteriobenzoyl)amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate C47H51NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-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] 2,3,4,5,6-pentadeuteriobenzoate C47H51NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2S,3S)-3-benzamido-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 C47H51NO14
Isomers (same molecular formula)
[2,10-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-5,13-dihydroxy-4,16,17,17-tetramethyl-3-oxo-8-oxapentacyclo[11.3.1.01,11.04,11.07,10]heptadecan-12-yl] benzoate C47H51NO14

Also listed as

7-Epitaxol, 95% Combi-blocks CAS 105454-04-4
Paclitaxel EP Impurity E (7-epi Paclitaxel) Chemat Brand CAS 105454-04-4
Paclitaxel Impurity 5（Paclitaxel EP Impurity E） Hubei YoungXin CAS 105454-04-4
7-epi-Paclitaxel Mikromol CAS 105454-04-4
7–Epitaxol GLPBio CAS 105454-04-4
7-epi-Taxol/ 99.57% (existing batch purity) TargetMol CAS 105454-04-4
7-epi-Taxol Biosynth CAS 105454-04-4
7-epi-Taxol (Standard) MedChemExpress CAS 105454-04-4
7-epi-Taxol, 99.85% MedChemExpress CAS 105454-04-4
7-epi-Taxol, 98% Fluorochem CAS 105454-04-4