Analyte Name

Erythromycin N-2-Propenyl Bromide

Molecular Formula

C40H72NO13•Br

Molecular Weight

854.9

Accurate Mass

853.42

SMILES

C[C@@H]1C[C@](O)(C)[C@H](OC2[C@H](O)[C@@H]([N+](C)(CC=C)C)CC(C)O2)[C@@H](C)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@](C)(OC)C3)[C@@H](C)C(O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C1=O)=O.[Br-]

InChI

InChI=1S/C40H72NO13.BrH/c1-15-17-41(12,13)27-18-22(4)50-37(31(27)43)54-35-24(6)32(53-29-20-39(10,49-14)34(45)26(8)51-29)25(7)36(46)52-28(16-2)40(11,48)33(44)23(5)30(42)21(3)19-38(35,9)47;/h15,21-29,31-35,37,43-45,47-48H,1,16-20H2,2-14H3;1H/q+1;/p-1/t21-,22?,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37?,38-,39-,40-;/m1./s1

IUPAC

(3R,4S)-N-allyl-2-(((3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-6-yl)oxy)-3-hydroxy-N,N,6-trimethyltetrahydro-2H-pyran-4-aminium bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat