Analyte Name

2’-O-[(2,2,2,-Trichloroethyl)oxy]carbonyl-7-O-(triethylsilyl) Paclitaxel

Molecular Formula

C56 H66 Cl3 N O16 Si

Molecular Weight

1143.565

Accurate Mass

1141.322

SMILES

CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C([C@@H](OC(=O)C)C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C56H66Cl3NO16Si/c1-10-77(11-2,12-3)76-39-28-40-54(30-69-40,75-34(6)62)45-47(74-49(65)37-26-20-15-21-27-37)55(68)29-38(32(4)41(52(55,7)8)43(71-33(5)61)46(63)53(39,45)9)72-50(66)44(73-51(67)70-31-56(57,58)59)42(35-22-16-13-17-23-35)60-48(64)36-24-18-14-19-25-36/h13-27,38-40,42-45,47,68H,10-12,28-31H2,1-9H3,(H,60,64)/t38-,39-,40+,42-,43+,44+,45-,47-,53+,54-,55+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-3-phenyl-2-(2,2,2-trichloroethoxycarbonyloxy)propanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-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 Type

Bioactive Small Molecule

Product Format

Neat