Analyte Name

Cabazitaxel-13C2,d6

Molecular Formula

C43 ¹³C2 H51 D6 N O14

Molecular Weight

843.97

Accurate Mass

843.42

SMILES

O[C@@]1([C@@H](OC(C2=CC=CC=C2)=O)[C@@]([C@@]3(OC(C)=O)[C@H](OC3)C[C@@H]4O[13C]([2H])([2H])[2H])([H])[C@]4(C)C([C@@H]5O[13C]([2H])([2H])[2H])=O)C[C@H](OC([C@H](O)[C@H](C6=CC=CC=C6)NC(OC(C)(C)C)=O)=O)C(C)=C5C1(C)C

InChI

InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1/i9+1D3,10+1D3

IUPAC

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4,6-bis(methoxy-13C-d3)-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 benzoat

SIL Type

Deuterium, Carbon

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat