Analyte Name

Tigloyl Cabazitaxel

Molecular Formula

C50H65NO16

Molecular Weight

936.05

Accurate Mass

935.43

SMILES

O=C([C@]1([C@]([H])([C@@H]([C@@]2(C[C@@H](C(C)=C3C2(C)C)OC([C@@H]([C@@H](N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C4=CC=CC=C4)O)=O)O)OC(C5=CC=CC=C5)=O)[C@]6([C@@H](C[C@@H]1OC)OC6)OC(C)=O)C)[C@@H]3OC

InChI

InChI=1S/C50H65NO16/c1-27-31(63-42(56)36(53)35(29-20-16-14-17-21-29)51(43(57)66-45(3,4)5)44(58)67-46(6,7)8)25-50(59)40(64-41(55)30-22-18-15-19-23-30)38-48(11,39(54)37(61-13)34(27)47(50,9)10)32(60-12)24-33-49(38,26-62-33)65-28(2)52/h14-23,31-33,35-38,40,53,59H,24-26H2,1-13H3/t31-,32-,33+,35-,36+,37+,38-,40-,48+,49-,50+/m0/s1

IUPAC

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-(bis(tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate

Alternate CAS Number

2288746-64-3

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat