t-Butyldimethylsilyl Tylosin-d3 Acetate

Analyte Name

t-Butyldimethylsilyl Tylosin-d3 Acetate

Molecular Formula

C54 D3 H90 N O18 Si

Molecular Weight

1075.416

Accurate Mass

1074.635

SMILES

[2H]C([2H])([2H])N(C)[C@H]1[C@H](O[C@H]2C[C@@](C)(O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O)CC(=O)O[C@H](CC)[C@@H](CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C=C(/C)\C=C\C(=O)[C@H](C)C[C@@H]3CC=O)[C@@H]1OC(=O)C

InChI

InChI=1S/C54H93NO18Si/c1-19-40-37(28-65-51-49(64-16)48(63-15)44(61)32(5)67-51)24-29(2)20-21-38(58)30(3)25-36(22-23-56)45(31(4)39(59)26-41(60)70-40)72-52-47(69-35(8)57)43(55(13)14)46(33(6)68-52)71-42-27-54(12,62)50(34(7)66-42)73-74(17,18)53(9,10)11/h20-21,23-24,30-34,36-37,39-40,42-52,59,61-62H,19,22,25-28H2,1-18H3/b21-20+,29-24+/t30-,31+,32-,33-,34+,36+,37-,39-,40-,42+,43+,44-,45-,46-,47-,48-,49-,50+,51-,52+,54-/m1/s1/i13D3

IUPAC

[(2R,3R,4S,5S,6R)-5-[(2S,4R,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-2-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-6-methyl-4-[methyl(trideuteriomethyl)amino]oxan-3-yl] acetate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat