Triacetylspiramycin
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Product Code
TRC-A212710-25MG
Product Format
Neat
Molecular Formula
C49 H80 N2 O17
Molecular Weight
969.163
Product Categories
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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
Product citations
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