Name: 2-Debenzoyl-2-pentenoyldocetaxel
Brand: TRC
SKU: TRC-D205050

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Product Overview

Product Code

TRC-D205050

CAS Number

1412898-66-8

Product Format

Neat

Molecular Formula

C41 H55 N O14

Molecular Weight

785.87

API Family

Docetaxel

Product Categories

Additional Cancer Bioactive Molecules, TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Analyte Name

2-Debenzoyl-2-pentenoyl docetaxel

CAS Number

1412898-66-8

Molecular Formula

C41 H55 N O14

Molecular Weight

785.87

Accurate Mass

785.3623

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)CCC=C)[C@]4(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)C(=C([C@@H](O)C3=O)C4(C)C)C

InChI

InChI=1S/C41H55NO14/c1-10-11-17-27(45)54-34-32-39(9,25(44)18-26-40(32,20-52-26)55-22(3)43)33(48)30(46)28-21(2)24(19-41(34,51)38(28,7)8)53-35(49)31(47)29(23-15-13-12-14-16-23)42-36(50)56-37(4,5)6/h10,12-16,24-26,29-32,34,44,46-47,51H,1,11,17-20H2,2-9H3,(H,42,50)/t24-,25-,26+,29-,30+,31+,32-,34-,39+,40-,41+/m0/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Docetaxel

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