Paclitaxel-8-hydro-bicyclo(3.3.0)octane

Analyte Name

Paclitaxel-8-hydro-bicyclo(3.3.0)octane

CAS Number

146139-03-9

Molecular Formula

C47 H51 N O14

Molecular Weight

853.91

Accurate Mass

853.331

SMILES

C[C@@H]1[C@H](C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@]45[C@@]6(CO[C@@H]6C[C@H](O)[C@@]4(C)C(=O)[C@H](OC(=O)C)[C@@]15C2(C)C)OC(=O)C)OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8

InChI

InChI=1S/C47H51NO14/c1-25-31(60-40(56)35(52)34(28-16-10-7-11-17-28)48-38(54)29-18-12-8-13-19-29)23-44(57)41(61-39(55)30-20-14-9-15-21-30)47-43(6,32(51)22-33-45(47,24-58-33)62-27(3)50)36(53)37(59-26(2)49)46(25,47)42(44,4)5/h7-21,25,31-35,37,41,51-52,57H,22-24H2,1-6H3,(H,48,54)/t25-,31+,32+,33-,34+,35-,37+,41-,43+,44-,45+,46-,47-/m1/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Paclitaxel