10-O-2,2-Dichloroethoxycarbonyl Docetaxel

Analyte Name

10-O-2,2-Dichloroethoxycarbonyl Docetaxel

CAS Number

158810-73-2

Molecular Formula

C46 H55 Cl2 N O16

Molecular Weight

948.83

Accurate Mass

947.2898

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@@H](OC(=O)OCC(Cl)Cl)C3=O)C5(C)C)C

InChI

InChI=1S/C46H55Cl2NO16/c1-23-27(61-39(55)33(52)32(25-15-11-9-12-16-25)49-40(56)65-42(3,4)5)20-46(58)37(63-38(54)26-17-13-10-14-18-26)35-44(8,28(51)19-29-45(35,22-60-29)64-24(2)50)36(53)34(31(23)43(46,6)7)62-41(57)59-21-30(47)48/h9-18,27-30,32-35,37,51-52,58H,19-22H2,1-8H3,(H,49,56)/t27-,28-,29+,32-,33+,34+,35-,37-,44+,45-,46+/m0/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Docetaxel

Purity

>95% (HPLC)