| SpectraBase Compound ID | EUA5CgtSln |
|---|---|
| InChI | InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1 |
| InChIKey | YNMFDPCLPIMRFD-KSPKLRDJSA-N |
| Mol Weight | 596.49 g/mol |
| Molecular Formula | C26H28O16 |
| Exact Mass | 596.137735 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 51iZ1PTJUwm |
|---|---|
| Name | Peltatoside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 596.137734806 u |
| Formula | C26H28O16 |
| InChI | InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25-,26-/m0/s1 |
| InChIKey | YNMFDPCLPIMRFD-KSPKLRDJSA-N |
| Instrument Name | Xevo G2-S QToF |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/pca.3259 |
| Molecular Weight | 596.494 g/mol |
| Quality | 60 |
| SMILES | OC1=CC2=C(C(C(O[C@]3([C@@]([C@]([C@@]([C@](O3)(CO[C@@]3(OC[C@@]([C@@]([C@]3(O)[H])(O)[H])(O)[H])[H])[H])(O)[H])(O)[H])(O)[H])[H])=C(O2)C2=CC=C(C(=C2)O)O)=O)C(=C1)O |
| SPLASH | splash10-0udi-0009000000-b4c538322171e234583f |
| Source of Spectrum | PA-34-SM16-Peltatoside (DOI: 10.1002/pca.3259) |
| Wiley ID | 1911784 |