Analyte Name

10-O-2,2-Dichloroethoxycarbonyl O-Triethylsilyl Docetaxel

Molecular Formula

C52 H69 Cl2 N O16 Si

Molecular Weight

1063.093

Accurate Mass

1061.376

SMILES

CC[Si](CC)(CC)O[C@H]([C@@H](NC(=O)OC(C)(C)C)c1ccccc1)C(=O)O[C@H]2C[C@@]3(O)[C@@H](OC(=O)c4ccccc4)[C@@H]5[C@@]6(CO[C@@H]6C[C@H](O)[C@@]5(C)C(=O)[C@H](OC(=O)OCC(Cl)Cl)C(=C2C)C3(C)C)OC(=O)C

InChI

InChI=1S/C52H69Cl2NO16Si/c1-12-72(13-2,14-3)71-40(38(31-21-17-15-18-22-31)55-46(61)70-48(6,7)8)45(60)66-33-26-52(63)43(68-44(59)32-23-19-16-20-24-32)41-50(11,34(57)25-35-51(41,28-65-35)69-30(5)56)42(58)39(37(29(33)4)49(52,9)10)67-47(62)64-27-36(53)54/h15-24,33-36,38-41,43,57,63H,12-14,25-28H2,1-11H3,(H,55,61)/t33-,34-,35+,38-,39+,40+,41-,43-,50+,51-,52+/m0/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat