ChemicalBook--->CAS DataBase List--->40980-51-6

40980-51-6

40980-51-6 Structure

40980-51-6 Structure
IdentificationBack Directory
[Name]

pseudomonic acid I
[CAS]

40980-51-6
[Synonyms]

pseudomonic acid I
Pseudomonic Acid B
Mupirocin Caclium Impurity A
Mupirocin EP Impurity ABCDEF
Mupirocin Calcium EP Impurity A
Mupirocin Calcium Impurity 1(Mupirocin Calcium EP Impurity A)
9-[(E)-3-methyl-4-[3,4,5-trihydroxy-5-[[3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]but-2-enoyl]oxynonanoic acid
D-allo-Non-2-enonic acid, 5,9-anhydro-2,3,4-trideoxy-8-C-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-
9-(((E)-3-methyl-4-((2S,3R,4S,5R)-3,4,5-trihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)but-2-enoyl)oxy)nonanoicacid
Mupirocin EP Impurity A/Pseudomonic Acid B/9-[[(2E)-4-[(2S,3R,4R,5R)-3,4,5-Trihydroxy-5-[[(2S,3S)3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl]oxy]nonanoic acid
[Molecular Formula]

C26H44O10
[MOL File]

40980-51-6.mol
[Molecular Weight]

516.62
Chemical PropertiesBack Directory
[Boiling point ]

689.4±55.0 °C(Predicted)
[density ]

1.234±0.06 g/cm3(Predicted)
[pka]

4.78±0.10(Predicted)
[InChIKey]

JGKQAKOVZJHZTF-QSYBISIHNA-N
[SMILES]

[C@@H]1(C[C@@]2(O)CO[C@@H](C/C(/C)=C/C(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@@H](O)C |&1:0,2,6,25,27,30,32,34,r|
Hazard InformationBack Directory
[Uses]

Pseudomonic Acid B is an impurity of Mupirocin (M794000); an antibiotic complex produced by Pseudomonas fluorescens NCIB 10586. Also a topical antibacterial.
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