| SpectraBase Compound ID | BEmprzomTkn |
|---|---|
| InChI | InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 |
| InChIKey | SKNVKBJSSSJNCI-UIBFFPKISA-N |
| Mol Weight | 508.48 g/mol |
| Molecular Formula | C24H28O12 |
| Exact Mass | 508.158076 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 33WfUh6KRSc |
|---|---|
| Name | Specicoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H28O12 |
| InChI | InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 |
| InChIKey | SKNVKBJSSSJNCI-UIBFFPKISA-N |
| Molecular Weight | 508.476 g/mol |
| SMILES | Oc1ccc(\C=C\C(O[C@@]2([C@]3([C@@]([C@]4([C@](O[C@]5([C@@]([C@]([C@@]([C@](O5)(CO)[H])(O)[H])(O)[H])(O)[H])[H])(OC=C[C@@]24[H])[H])[H])(O3)CO)[H])[H])=O)cc1 |
| SPLASH | splash10-0076-9300000000-50f1df51013a389c8837 |
| Source of Spectrum | E1-42-1671-19 |
| Wiley ID | 1552689 |