Analyte Name

7,10-Bis[O-(triethylsilyl)]-10-deacetyl-13-O-trimethylsilyl Baccatin III-d5

Molecular Formula

C44 D5 H67 O10 Si3

Molecular Weight

850.324

Accurate Mass

849.475

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)O[Si](C)(C)C)c([2H])c1[2H]

InChI

InChI=1S/C44H72O10Si3/c1-15-56(16-2,17-3)53-33-26-34-43(28-49-34,51-30(8)45)37-39(50-40(47)31-24-22-21-23-25-31)44(48)27-32(52-55(12,13)14)29(7)35(41(44,9)10)36(38(46)42(33,37)11)54-57(18-4,19-5)20-6/h21-25,32-34,36-37,39,48H,15-20,26-28H2,1-14H3/t32-,33-,34+,36+,37-,39-,42+,43-,44?/m0/s1/i21D,22D,23D,24D,25D

IUPAC

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

Unlabelled CAS Number

159383-93-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat