| SpectraBase Compound ID | 7Tn4Y5UFBbQ |
|---|---|
| InChI | InChI=1S/C20H30O18/c1-3-4(21)5(22)11(14(34-3)17(29)30)35-20-9(26)7(24)12(15(38-20)18(31)32)36-19-8(25)6(23)10(33-2)13(37-19)16(27)28/h3-15,19-26H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t3-,4+,5+,6+,7+,8-,9-,10-,11-,12-,13-,14-,15-,19+,20+/m0/s1 |
| InChIKey | SQSUTFHYVMBBKG-UUUQWCDOSA-N |
| Mol Weight | 558.44 g/mol |
| Molecular Formula | C20H30O18 |
| Exact Mass | 558.143214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G8EtzwO3aLM |
|---|---|
| Name | Alginic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 558.143214108 u |
| Formula | C20H30O18 |
| InChI | InChI=1S/C20H30O18/c1-3-4(21)5(22)11(14(34-3)17(29)30)35-20-9(26)7(24)12(15(38-20)18(31)32)36-19-8(25)6(23)10(33-2)13(37-19)16(27)28/h3-15,19-26H,1-2H3,(H,27,28)(H,29,30)(H,31,32)/t3-,4+,5+,6+,7+,8-,9-,10-,11-,12-,13-,14-,15-,19+,20+/m0/s1 |
| InChIKey | SQSUTFHYVMBBKG-UUUQWCDOSA-N |
| Molecular Weight | 558.442 g/mol |
| Nominal Mass | 558 u |
| SMILES | O[C@]1([C@@]([C@](O[C@@](O[C@]2([C@@]([C@@]([C@](O[C@@]3([C@@](C(=O)O)(O[C@]([C@]([C@]3(O)[H])(O)[H])(C)[H])[H])[H])(O[C@@]2(C(=O)O)[H])[H])(O)[H])(O)[H])[H])([C@]1(O)[H])[H])(C(=O)O)[H])(OC)[H])[H] |