Des-(N-tert-Butyloxycarbonyl) (2’S, 3’R)-Cabazitaxel

Copied to clipboard

Analyte Name

Des-(N-tert-Butyloxycarbonyl) (2'S, 3'R)-Cabazitaxel

Molecular Formula

C40 H49 N O12

Molecular Weight

735.817

Accurate Mass

735.325

SMILES

CO[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](O)[C@H](N)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C40H49NO12/c1-21-25(51-36(46)30(43)29(41)23-14-10-8-11-15-23)19-40(47)34(52-35(45)24-16-12-9-13-17-24)32-38(5,33(44)31(49-7)28(21)37(40,3)4)26(48-6)18-27-39(32,20-50-27)53-22(2)42/h8-17,25-27,29-32,34,43,47H,18-20,41H2,1-7H3/t25-,26-,27+,29+,30-,31+,32-,34-,38+,39-,40+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2S,3R)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat