Analyte Name

Pseudoerythromycin A Hemiketal

CAS Number

105900-46-7

Molecular Formula

C37 H67 N O13

Molecular Weight

733.93

Accurate Mass

733.4612

SMILES

CC[C@@H](O)[C@@](C)(O)[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@@]4(C)C[C@@H](C)[C@](O)(O4)[C@@H]1C

InChI

InChI=1S/C37H67NO13/c1-14-25(39)36(10,43)31-22(6)37(44)18(2)16-35(9,51-37)30(50-33-27(40)24(38(11)12)15-19(3)46-33)20(4)28(21(5)32(42)49-31)48-26-17-34(8,45-13)29(41)23(7)47-26/h18-31,33,39-41,43-44H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29+,30-,31-,33+,34-,35-,36-,37+/m1/s1

IUPAC

(1R,2R,3S,4S,5R,8R,9R,10S,11R)-8-[(2R,3R)-2,3-dihydroxypentan-2-yl]-2-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-hydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-1,3,5,9,11-pentamethyl-7,13-dioxabicyclo[8.2.1]tridecan-6-one

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat