2H,5H-Pyrano[4,3-b]pyranyl Mupirocin Sodium Impurity

Analyte Name

9-[((2E)-4-[(2R,3RS,4aS,7S,8S,8aR)-3,8-Dihydroxy-2-[(1S,2S)-2-hydroxy-1-methylpropyl]hexahydro-2H,5H-pyrano[4,3-b]pyran-7-yl]-3-methylbut-2-enoyl)oxy]nonanoic Acid Sodium Salt

CAS Number

116182-44-6

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]1O[C@H]2[C@@H](O)[C@H](C\C(=C\C(=O)OCCCCCCCCC(=O)[O-])\C)OC[C@@H]2C[C@@H]1O

InChI

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

IUPAC

sodium;9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[4,3-b]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate

Alternate CAS Number

Free acid: 71087-96-2

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Mupirocin

Purity

>95% (HPLC)