| SpectraBase Compound ID | HZEW45RwpkN |
|---|---|
| InChI | InChI=1S/C18H26O12/c1-9(19)26-8-15(27-10(2)20)17(29-12(4)22)18(30-13(5)23)16(28-11(3)21)14(24)7-25-6/h15-18H,7-8H2,1-6H3 |
| InChIKey | TYSSWMZEZHDUFJ-UHFFFAOYSA-N |
| Mol Weight | 434.39 g/mol |
| Molecular Formula | C18H26O12 |
| Exact Mass | 434.142426 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Ey3MQKwHhi |
|---|---|
| Name | Methyl pentaacetyl-D-mannoheptuloside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 434.142426265 u |
| Formula | C18H26O12 |
| InChI | InChI=1S/C18H26O12/c1-9(19)26-8-15(27-10(2)20)17(29-12(4)22)18(30-13(5)23)16(28-11(3)21)14(24)7-25-6/h15-18H,7-8H2,1-6H3 |
| InChIKey | TYSSWMZEZHDUFJ-UHFFFAOYSA-N |
| Molecular Weight | 434.394 g/mol |
| SMILES | C(C(C(C(C(C(COC)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O |