4”’-O-Chloroacetyl-4’,2’’-O-di(trimethysilyl)tylosin

Analyte Name

4'''-O-Chloroacetyl-4',2''-O-di(trimethysilyl)tylosin

Molecular Formula

C54H94ClNO18Si2

Molecular Weight

1136.96

Accurate Mass

1135.57

SMILES

O=C(O[C@@H](C(/C=C(/C=C/C1=O)C)CO[C@@H]2O[C@@H]([C@H]([C@H]([C@H]2OC)OC)O[Si](C)(C)C)C)CC)C[C@H]([C@@H]([C@H]([C@H](C[C@H]1C)CC=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@@H]4O[C@H]([C@@H]([C@@](C)(C4)O)OC(CCl)=O)C)N(C)C)O[Si](C)(C)C)C)O

InChI

InChI=1S/C54H94ClNO18Si2/c1-19-40-37(29-65-52-50(64-12)49(63-11)47(34(6)67-52)73-75(13,14)15)24-30(2)20-21-38(58)31(3)25-36(22-23-57)45(32(4)39(59)26-41(60)69-40)72-53-48(74-76(16,17)18)44(56(9)10)46(33(5)68-53)71-43-27-54(8,62)51(35(7)66-43)70-42(61)28-55/h20-21,23-24,31-37,39-40,43-53,59,62H,19,22,25-29H2,1-18H3/b21-20+,30-24+/t31-,32+,33-,34-,35+,36+,37?,39-,40-,43+,44+,45-,46-,47-,48-,49-,50-,51+,52-,53+,54-/m1/s1

IUPAC

(2S,3S,4R,6S)-6-(((2R,3S,4S,5R,6R)-6-(((4R,5S,6S,7R,9R,11E,13E,16R)-15-((((2R,3R,4S,5R,6R)-3,4-dimethoxy-6-methyl-5-((trimethylsilyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-16-ethyl-4-hydroxy-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl)oxy)-4-(dimethylamino)-2-methyl-5-((trimethylsilyl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl 2-chloroacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat