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Product Overview

Product Code

TRC-D291855

Product Format

Neat

Molecular Formula

C39H45NO13

Molecular Weight

735.77

Product Categories

Pharmaceutical Reference Standards, Impurity Reference Materials , Chiral Molecules , Enzyme inhibitors, TRC

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

N-Des-2-methylpropan-2-ol Docetaxel

Molecular Formula

C39H45NO13

Molecular Weight

735.77

Accurate Mass

735.29

SMILES

CC1=C([C@H](C([C@]2([C@]([H])([C@@H]([C@@]3(C[C@@H]1OC([C@@H]([C@@H](NC([H])=O)C4=CC=CC=C4)O)=O)O)OC(C5=CC=CC=C5)=O)[C@]6([C@@H](C[C@@H]2O)OC6)OC(C)=O)C)=O)O)C3(C)C

InChI

InChI=1S/C39H45NO13/c1-20-24(51-35(48)30(45)28(40-19-41)22-12-8-6-9-13-22)17-39(49)33(52-34(47)23-14-10-7-11-15-23)31-37(5,32(46)29(44)27(20)36(39,3)4)25(43)16-26-38(31,18-50-26)53-21(2)42/h6-15,19,24-26,28-31,33,43-45,49H,16-18H2,1-5H3,(H,40,41)/t24-,25-,26+,28-,29+,30+,31-,33-,37+,38-,39+/m0/s1

IUPAC

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-formamido-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

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