| SpectraBase Compound ID | JoXkGSIWQUU |
|---|---|
| InChI | InChI=1S/C55H96N16O13.2H2O4S/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78;2*1-5(2,3)4/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79);2*(H2,1,2,3,4)/t32-,33-,35+,36+,37-,38+,39+,40+,41+,42-,44+,45+;;/m1../s1 |
| InChIKey | QKSJMUZWIOHKHN-WHMHRSEVSA-N |
| Mol Weight | 1385.62 g/mol |
| Molecular Formula | C55H100N16O21S2 |
| Exact Mass | 1384.669037 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | B5Vs0JYES7Q |
|---|---|
| Name | Polymyxin B sulfate salt |
| Source of Sample | Sigma-Aldrich |
| Catalog Number | P1004 |
| CAS Registry Number | 1405-20-5 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C55H100N16O21S2 |
| InChI | InChI=1S/C55H96N16O13.2H2O4S/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78;2*1-5(2,3)4/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79);2*(H2,1,2,3,4)/t32-,33-,35+,36+,37-,38+,39+,40+,41+,42-,44+,45+;;/m1../s1 |
| InChIKey | QKSJMUZWIOHKHN-WHMHRSEVSA-N |
| Purity | >=6,000 USP units/mg |
| Synonyms | Polymyxin B Sulfate, Bacillus polymyxa |
| Wiley ID | SIAL_ATR-IR_024440 |