Analyte Name

2'-O-[(2,2,2,-Trichloroethyl)oxy]carbonyl Paclitaxel

CAS Number

100431-55-8

Molecular Formula

C50H52Cl3NO16

Molecular Weight

1029.3

Accurate Mass

1027.2352

SMILES

CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)[C@H]2[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(=C1C5(C)C)C

InChI

InChI=1S/C50H52Cl3NO16/c1-26-32(67-44(61)38(68-45(62)65-25-50(51,52)53)36(29-16-10-7-11-17-29)54-42(59)30-18-12-8-13-19-30)23-49(63)41(69-43(60)31-20-14-9-15-21-31)39-47(6,33(57)22-34-48(39,24-64-34)70-28(3)56)40(58)37(66-27(2)55)35(26)46(49,4)5/h7-21,32-34,36-39,41,57,63H,22-25H2,1-6H3,(H,54,59)/t32-,33-,34+,36-,37+,38+,39-,41-,47+,48-,49+/m0/s1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat