N-Debenzoyl-N-hexanoylpaclitaxel

cas: 153415-45-3 — see every product listed under this CAS number, including other names

N-Debenzoyl-N-hexanoylpaclitaxel (CAS 153415-45-3) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberID26723-25mg
cas153415-45-3
size25mg
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Available pack sizes

brand size price
Biosynth 25mg price on request

properties

categoryImpurities
sub-category 1Paclitaxel
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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 153415-45-3) is a chemical compound with the molecular formula C46H57NO14 and a molecular weight of 847.9 g/mol. IUPAC name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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: BEHTXUBGUDGCNQ-IEAAAIHOSA-N.

Identity
Molecular formulaC46H57NO14
Molecular weight847.9 g/mol
IUPAC name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-(hexanoylamino)-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
InChIKeyBEHTXUBGUDGCNQ-IEAAAIHOSA-N
SMILESCCCCCC(=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)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O

Computed by PubChem (NCBI)

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