Analyte Name

4'''-O-Chloroacetyl-tylosin

Molecular Formula

C48 H78 Cl N O18

Molecular Weight

992.582

Accurate Mass

991.491

SMILES

CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CCl)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\C1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)\C

InChI

InChI=1S/C48H78ClNO18/c1-13-34-31(23-61-47-44(60-12)43(59-11)39(56)27(5)63-47)18-24(2)14-15-32(52)25(3)19-30(16-17-51)41(26(4)33(53)20-35(54)65-34)68-46-40(57)38(50(9)10)42(28(6)64-46)67-37-21-48(8,58)45(29(7)62-37)66-36(55)22-49/h14-15,17-18,25-31,33-34,37-47,53,56-58H,13,16,19-23H2,1-12H3/b15-14+,24-18+/t25-,26+,27-,28-,29+,30+,31?,33-,34-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46+,47-,48-/m1/s1

IUPAC

[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-4-(dimethylamino)-6-[[(4R,5S,6S,7R,9R,11E,13E,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]-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 2-chloroacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat