4H-Furo[2,3-c]pyranyl Mupirocin Sodium Impurity

Analyte Name

9-[((2E)-4-[(2R,3aS,6S,7S,7aR)-2-[(1S,2S,3S)-1,3-Dihydroxy-2-methylbutyl]-7-hydroxyhexahydro-4H-furo[3,2-c]pyran-6-yl]-3-methylbut-2-enoyl)oxy]nonanoic acid sodium salt

CAS Number

116182-43-5

Molecular Formula

C26 H43 O9 . Na

Molecular Weight

522.60

Accurate Mass

522.2805

SMILES

[Na+].C[C@H](O)[C@H](C)[C@H](O)[C@H]1C[C@H]2CO[C@@H](C\C(=C\C(=O)OCCCCCCCCC(=O)[O-])\C)[C@H](O)[C@@H]2O1

InChI

InChI=1S/C26H44O9.Na/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)26-19(15-34-20)14-21(35-26)24(31)17(2)18(3)27;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);/q;+1/p-1/b16-13+;/t17-,18-,19-,20-,21+,24-,25-,26+;/m0./s1

IUPAC

sodium;9-[(E)-4-[(2R,3aS,6S,7S,7aR)-2-[(1S,2S,3S)-1,3-dihydroxy-2-methylbutyl]-7-hydroxy-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyran-6-yl]-3-methylbut-2-enoyl]oxynonanoate

Alternate CAS Number

Free compound: 71087-97-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Mupirocin

Purity

>95% (HPLC)