(4S,5R)-2,2-Dimethyl-4-phenyloxazolidine Cabazitaxel-d6

Analyte Name

(4S,5R)-2,2-Dimethyl-4-phenyloxazolidine Cabazitaxel-d6

Molecular Formula

C48 D6 H55 N O14

Molecular Weight

882.033

Accurate Mass

881.447

SMILES

[2H]C([2H])([2H])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]6OC(C)(C)N([C@H]6c7ccccc7)C(=O)OC(C)(C)C)C(=C([C@@H](OC([2H])([2H])[2H])C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C48H61NO14/c1-26-30(59-41(53)36-34(28-19-15-13-16-20-28)49(45(8,9)62-36)42(54)63-43(3,4)5)24-48(55)39(60-40(52)29-21-17-14-18-22-29)37-46(10,38(51)35(57-12)33(26)44(48,6)7)31(56-11)23-32-47(37,25-58-32)61-27(2)50/h13-22,30-32,34-37,39,55H,23-25H2,1-12H3/t30-,31-,32+,34-,35+,36+,37-,39-,46+,47-,48+/m0/s1/i11D3,12D3

IUPAC

5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12-bis(trideuteriomethoxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat