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4H-Furo[2,3-c]pyranyl Mupirocin Sodium Impurity , CAS No.116182-43-5
Names and Identifiers
IUPAC Name | sodium;9-[(E)-4-[(3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(3-hydroxybutan-2-yl)oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid;2,4,5,7-tetrahydrofuro[2,3-c]pyran-7-ide |
INCHI | InChI=1S/C26H44O9.C7H7O2.Na/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27;1-3-8-5-7-6(1)2-4-9-7;/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29);2H,1,3-4H2;/q;-1;+1/b16-13+;;/t17?,18?,19-,20?,21-,24+,25-,26?;;/m0../s1 |
InChi Key | MYCPCRVOSWPAPM-QCTIKSEGSA-N |
Canonical SMILES | CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC(=O)OCCCCCCCCC(=O)O)C)C(C)O.C1CO[C-]=C2C1=CCO2.[Na+] |
Isomeric SMILES | CC(C1[C@@H](O1)C[C@H]2COC([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)C(C)O.C1CO[C-]=C2C1=CCO2.[Na+] |
PubChem CID | 71777434 |
Molecular Weight | 522.6 |
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