Analyte Name

Oxacyclotetradecane Erythromycin Derivatives

CAS Number

119665-77-9

Molecular Formula

C42 H78 N2 O14

Molecular Weight

835.074

Accurate Mass

834.545

SMILES

CCOC(C)(C)O\N=C\1/[C@H](C)C[C@@](C)(O)[C@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)[C@H](O[C@H]3C[C@@](C)(OC)[C@@H](O)[C@H](C)O3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@H]1C

InChI

InChI=1S/C42H78N2O14/c1-17-29-42(13,50)34(46)24(5)31(43-58-39(9,10)52-18-2)22(3)20-40(11,49)36(57-38-32(45)28(44(14)15)19-23(4)53-38)25(6)33(26(7)37(48)55-29)56-30-21-41(12,51-16)35(47)27(8)54-30/h22-30,32-36,38,45-47,49-50H,17-21H2,1-16H3/b43-31+/t22-,23-,24+,25+,26-,27+,28+,29-,30+,32-,33+,34-,35+,36-,38+,40-,41-,42-/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-10-(2-ethoxypropan-2-yloxyimino)-14-ethyl-7,12,13-trihydroxy-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