Analyte Name

Diacetylspiramycin

Molecular Formula

C47 H78 N2 O16

Molecular Weight

927.126

Accurate Mass

926.535

SMILES

CO[C@H]1[C@@H](CC(=O)O[C@H](C)C\C=C\C=C\[C@H](OC2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@@H](O)[C@H](C)O4)[C@@H]([C@H]3OC(=O)C)N(C)C)OC(=O)C

InChI

InChI=1S/C47H78N2O16/c1-26-23-33(21-22-50)42(65-46-44(62-32(7)52)40(49(11)12)41(29(4)60-46)64-39-25-47(8,55)45(54)30(5)59-39)43(56-13)36(61-31(6)51)24-37(53)57-27(2)17-15-14-16-18-35(26)63-38-20-19-34(48(9)10)28(3)58-38/h14-16,18,22,26-30,33-36,38-46,54-55H,17,19-21,23-25H2,1-13H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,33+,34+,35+,36-,38?,39+,40+,41-,42+,43+,44-,45+,46+,47-/m1/s1

IUPAC

[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4S,5S,6R)-3-acetyloxy-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-10-[(5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat