Analyte Name

(E)-O-Demethylroxithromycin

CAS Number

261172-58-1

Molecular Formula

C40 H74 N2 O15

Molecular Weight

823.02

Accurate Mass

822.509

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCO)\[C@H](C)[C@@H](O)[C@]1(C)O

InChI

InChI=1S/C40H74N2O15/c1-14-28-40(10,49)33(45)23(4)30(41-52-20-51-16-15-43)21(2)18-38(8,48)35(57-37-31(44)27(42(11)12)17-22(3)53-37)24(5)32(25(6)36(47)55-28)56-29-19-39(9,50-13)34(46)26(7)54-29/h21-29,31-35,37,43-46,48-49H,14-20H2,1-13H3/b41-30+/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1

IUPAC

(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-(2-hydroxyethoxymethoxyimino)-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat