Analyte Name

N-DesBoc Docetaxel-d5

Molecular Formula

C38 D5 H40 N O12

Molecular Weight

712.794

Accurate Mass

712.326

SMILES

[2H]c1c([2H])c([2H])c(C(=O)O[C@H]2[C@@H]3C4(COC4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C5=C(C)[C@H](CC2(O)C5(C)C)OC(=O)[C@H](O)C(N)c6ccccc6)OC(=O)C)c([2H])c1[2H]

InChI

InChI=1S/C38H45NO12/c1-19-23(49-34(46)29(43)27(39)21-12-8-6-9-13-21)17-38(47)32(50-33(45)22-14-10-7-11-15-22)30-36(5,31(44)28(42)26(19)35(38,3)4)24(41)16-25-37(30,18-48-25)51-20(2)40/h6-15,23-25,27-30,32,41-43,47H,16-18,39H2,1-5H3/t23-,24-,25?,27?,28+,29+,30-,32-,36+,37?,38?/m0/s1/i7D,10D,11D,14D,15D

IUPAC

[(2S,3R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R)-3-amino-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2,3,4,5,6-pentadeuteriobenzoate

Unlabelled CAS Number

133524-69-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat