Analyte Name

4'''-O-Chloroacetyl-4',2''-O-di(trimethysilyl)tylosin 3,3'''-Diacetate

Molecular Formula

C58 H98 Cl N O20 Si2

Molecular Weight

1221.02

Accurate Mass

1219.5909

SMILES

O=C(C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](N(C)C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(CCl)=O)[C@@](OC(C)=O)(C)C2)[C@@H](C)O1)[C@@H](CC=O)C[C@H]3C)O[C@H](CC)C(CO[C@@H]4O[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](OC)[C@H]4OC)/C=C(C)/C=C/C3=O

InChI

InChI=1S/C58H98ClNO20Si2/c1-21-43-41(31-69-56-54(68-14)53(67-13)51(36(6)71-56)79-81(15,16)17)26-32(2)22-23-42(64)33(3)27-40(24-25-61)49(34(4)44(73-38(8)62)28-45(65)74-43)77-57-52(80-82(18,19)20)48(60(11)12)50(35(5)72-57)76-47-29-58(10,78-39(9)63)55(37(7)70-47)75-46(66)30-59/h22-23,25-26,33-37,40-41,43-44,47-57H,21,24,27-31H2,1-20H3/b23-22+,32-26+/t33-,34+,35-,36-,37+,40+,41?,43-,44-,47+,48+,49-,50-,51-,52-,53-,54-,55+,56-,57+,58-/m1/s1

IUPAC

[(2S,3S,4R,6S)-4-acetoxy-6-[(2R,3S,4S,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-4-acetoxy-15-[[(2R,3R,4S,5R,6R)-3,4-dimethoxy-6-methyl-5-trimethylsilyloxy-tetrahydropyran-2-yl]oxymethyl]-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-2-methyl-5-trimethylsilyloxy-tetrahydropyran-3-yl]oxy-2,4-dimethyl-tetrahydropyran-3-yl] 2-chloroacetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat