11-Desmethyl Rifaximin

Analyte Name

11-Desmethyl Rifaximin

Molecular Formula

C42 H49 N3 O11

Molecular Weight

771.85

Accurate Mass

771.3367

SMILES

CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c5c(nc6ccccn56)c4c3C2=O

InChI

InChI=1S/C42H49N3O11/c1-19-13-12-14-20(2)41(52)44-32-33-31(43-27-15-10-11-17-45(27)33)28-29(37(32)50)36(49)24(6)39-30(28)40(51)42(8,56-39)54-18-16-26(53-9)21(3)38(55-25(7)46)23(5)35(48)22(4)34(19)47/h10-19,21-23,26,34-35,38,47-50H,1-9H3,(H,44,52)/b13-12+,18-16+,20-14-/t19-,21?,22+,23+,26-,34-,35+,38+,42-/m0/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)