Analyte Name

Docetaxel-d5 2',7,10-Tris(triethylsilyl) Ether

Molecular Formula

C61 D5 H90 N O14 Si3

Molecular Weight

1155.693

Accurate Mass

1154.637

SMILES

[2H]c1c([2H])c([2H])c(C(=O)O[C@H]2[C@H]3[C@@](C)([C@H](C[C@H]4OC[C@@]34OC(=O)C)O[Si](CC)(CC)CC)C(=O)[C@H](O[Si](CC)(CC)CC)C5=C(C)[C@H](CC2(O)C5(C)C)OC(=O)[C@H](O[Si](CC)(CC)CC)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)c([2H])c1[2H]

InChI

InChI=1S/C61H95NO14Si3/c1-18-77(19-2,20-3)74-45-37-46-60(39-69-46,72-41(11)63)51-53(71-54(65)43-35-31-28-32-36-43)61(68)38-44(40(10)47(58(61,15)16)49(52(64)59(45,51)17)75-78(21-4,22-5)23-6)70-55(66)50(76-79(24-7,25-8)26-9)48(42-33-29-27-30-34-42)62-56(67)73-57(12,13)14/h27-36,44-46,48-51,53,68H,18-26,37-39H2,1-17H3,(H,62,67)/t44-,45-,46+,48-,49+,50+,51-,53-,59+,60-,61?/m0/s1/i28D,31D,32D,35D,36D

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-10,14,17,17-tetramethyl-15-[(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-triethylsilyloxypropanoyl]oxy-11-oxo-9,12-bis(triethylsilyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 2,3,4,5,6-pentadeuteriobenzoate

Unlabelled CAS Number

149107-86-8

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat