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Product Overview

Product Code

TRC-D289235

CAS Number

133524-69-3

Product Format

Neat

Molecular Formula

C38H45NO12

Molecular Weight

707.77

Product Categories

TRC, Impurity Reference Materials , Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Documentation

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Product Information

Chemical Data

Analyte Name

N-DesBoc Docetaxel

CAS Number

133524-69-3

Molecular Formula

C38H45NO12

Molecular Weight

707.77

Accurate Mass

707.2942

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](N)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

InChI

InChI=1S/C38H45NO12/c1-19-23(49-34(46)29(43)27(39)21-12-8-6-9-13-21)17-38(47)32(50-33(45)22-14-10-7-11-15-22)30-36(5,31(44)28(42)26(19)35(38,3)4)24(41)16-25-37(30,18-48-25)51-20(2)40/h6-15,23-25,27-30,32,41-43,47H,16-18,39H2,1-5H3/t23-,24-,25+,27-,28+,29+,30-,32-,36+,37-,38+/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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