| SpectraBase Compound ID | 2MAXKgDbpb6 |
|---|---|
| InChI | InChI=1S/C25H32O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,18-22,24-25H,7,9H2,1-6H3/t10-,15+,18+,19+,20+,21-,22+,24-,25-/m0/s1 |
| InChIKey | WXNZYXJASJZABT-SIDXAJJHSA-N |
| Mol Weight | 556.5 g/mol |
| Molecular Formula | C25H32O14 |
| Exact Mass | 556.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDL7HvDhM7Q |
|---|---|
| Name | Dehydrologanin, tetraacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 556.179205696 u |
| Formula | C25H32O14 |
| InChI | InChI=1S/C25H32O14/c1-10-17(30)7-15-16(23(31)32-6)8-34-24(19(10)15)39-25-22(37-14(5)29)21(36-13(4)28)20(35-12(3)27)18(38-25)9-33-11(2)26/h8,10,15,18-22,24-25H,7,9H2,1-6H3/t10-,15+,18+,19+,20+,21-,22+,24-,25-/m0/s1 |
| InChIKey | WXNZYXJASJZABT-SIDXAJJHSA-N |
| Molecular Weight | 556.517 g/mol |
| SMILES | [C@]1([C@]2([C@@](C(=CO1)C(=O)OC)(CC([C@@]2(C)[H])=O)[H])[H])(O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H] |