9,11-[imino(1-methylethylidene)oxy]-9-deoxo-11-deoxyerythromycin

Analyte Name

9,11-[imino(1-methylethylidene)oxy]-9-deoxo-11-deoxyerythromycin

Molecular Formula

C40 H74 N2 O12

Molecular Weight

775.022

Accurate Mass

774.524

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@@H](C[C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4NC(C)(C)O[C@H]([C@H]4C)[C@]1(C)O

InChI

InChI=1S/C40H74N2O12/c1-16-28-40(12,47)34-21(3)30(41-37(8,9)54-34)20(2)18-38(10,46)33(53-36-27(43)17-26(42(13)14)24(6)50-36)22(4)31(23(5)35(45)51-28)52-29-19-39(11,48-15)32(44)25(7)49-29/h20-34,36,41,43-44,46-47H,16-19H2,1-15H3/t20-,21+,22+,23-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,36+,38-,39-,40-/m1/s1

IUPAC

(1R,2R,3R,6R,7S,8S,9R,10R,12R,13S,17S)-9-[(2S,3R,5R,6R)-5-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2,10-dihydroxy-7-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,6,8,10,12,15,15,17-octamethyl-4,16-dioxa-14-azabicyclo[11.3.1]heptadecan-5-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat