Triacetylspiramycin
Product Code
TRC-A212710-25MG
Product Format
Neat
Molecular Formula
C49 H80 N2 O17
Molecular Weight
969.163
Product Categories
Product Information
Chemical Data
Analyte Name
Triacetylspiramycin
Molecular Formula
C49 H80 N2 O17
Molecular Weight
969.163
Accurate Mass
968.546
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](OC(=O)C)[C@H](C)O4)[C@@H]([C@H]3OC(=O)C)N(C)C)OC(=O)C
InChI
InChI=1S/C49H80N2O17/c1-27-24-35(22-23-52)44(68-48-46(64-33(7)54)42(51(12)13)43(30(4)62-48)67-41-26-49(9,57)47(31(5)61-41)65-34(8)55)45(58-14)38(63-32(6)53)25-39(56)59-28(2)18-16-15-17-19-37(27)66-40-21-20-36(50(10)11)29(3)60-40/h15-17,19,23,27-31,35-38,40-48,57H,18,20-22,24-26H2,1-14H3/b16-15+,19-17+/t27-,28-,29-,30-,31+,35+,36+,37+,38-,40?,41+,42+,43-,44+,45+,46-,47+,48+,49-/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)-5-acetyloxy-4-hydroxy-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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat