Paclitaxel Impurity 55

cas: 159001-25-9 — see every product listed under this CAS number, including other names

Paclitaxel Impurity 55 (CAS 159001-25-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-P812555
cas159001-25-9
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Structural formula: {0} (CAS {1})

[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbutanoylamino)-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 (CAS 159001-25-9) is a chemical compound with the molecular formula C45H55NO14 and a molecular weight of 833.9 g/mol. IUPAC name: [4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbutanoylamino)-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. InChIKey: OKEKLOJNCOIPIT-UHFFFAOYSA-N.

Identity
Molecular formulaC45H55NO14
Molecular weight833.9 g/mol
IUPAC name[4,12-diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-(2-methylbutanoylamino)-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
InChIKeyOKEKLOJNCOIPIT-UHFFFAOYSA-N
SMILESCCC(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O

Computed by PubChem (NCBI)

Synonyms: Dihydrocephalomannine, Paclitaxel Impurity R, 2",3"-Dihydrocephalomannine
Related forms of this compound
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(2S)-2-methylbutanoyl]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 C45H55NO14
Isomers (same molecular formula)
[(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] pentanoate C45H55NO14
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(pentanoylamino)-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 C45H55NO14

Also listed as

Paclitaxel Impurity 18（Paclitaxel EP Impurity R） Hubei YoungXin CAS 159001-25-9
Dihydrocephalomannine TRC CAS 159001-25-9
Dihydrocephalomannine, 99%, 99% Chemat CAS 159001-25-9
Dihydrocephalomannine, 98.04% MedChemExpress CAS 159001-25-9