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Product Overview

Product Code

TRC-E588610

CAS Number

162784-72-7

EP Description

Docetaxel EP Impurity D

Product Format

Neat

Molecular Formula

C43 H51 N O14

Molecular Weight

805.86

API Family

Docetaxel

Product Categories

TRC, Impurity Reference Materials , Chiral Molecules

Product Type

Impurity

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

7-Epi-10-oxo-docetaxel (Docetaxel Impurity D)

CAS Number

162784-72-7

Molecular Formula

C43 H51 N O14

Molecular Weight

805.86

Accurate Mass

805.331

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C

InChI

InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Docetaxel

Purity

>95% (HPLC)

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7-Epi-10-oxo Docetaxel

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