Diacetylspiramycin
Product Code
TRC-A212700-100MG
Product Format
Neat
Molecular Formula
C47 H78 N2 O16
Molecular Weight
927.126
Product Categories
Product Information
Chemical Data
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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat