| SpectraBase Compound ID | L5SVyEdjEL7 |
|---|---|
| InChI | InChI=1S/C26H30O13/c1-35-20(28)11-16-15(9-10-36-19(27)8-7-14-5-3-2-4-6-14)26(37-12-17(16)24(32)33)38-13-18-21(29)22(30)23(31)25(34)39-18/h2-9,12,16,18,21-23,25-26,29-31,34H,10-11,13H2,1H3,(H,32,33)/b8-7-,15-9+/t16-,18+,21+,22-,23+,25+,26-/m0/s1 |
| InChIKey | BVUIYHVOEULBAY-ZKXOTJLHSA-N |
| Mol Weight | 550.51 g/mol |
| Molecular Formula | C26H30O13 |
| Exact Mass | 550.168641 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2NcMf1BJoeZ |
|---|---|
| Name | Isojasminside |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H30O13 |
| InChI | InChI=1S/C26H30O13/c1-35-20(28)11-16-15(9-10-36-19(27)8-7-14-5-3-2-4-6-14)26(37-12-17(16)24(32)33)38-13-18-21(29)22(30)23(31)25(34)39-18/h2-9,12,16,18,21-23,25-26,29-31,34H,10-11,13H2,1H3,(H,32,33)/b8-7-,15-9+/t16-,18+,21+,22-,23+,25+,26-/m0/s1 |
| InChIKey | BVUIYHVOEULBAY-ZKXOTJLHSA-N |
| Molecular Weight | 550.513 g/mol |
| SMILES | O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[C@@]1(OC=C([C@](\C1=C\COC(\C=C/c1ccccc1)=O)(CC(=O)OC)[H])C(=O)O)[H])[H])(O)[H])(O)[H])(O)[H])[H] |
| SPLASH | splash10-0007-8900000000-c84d7a926b6be8d1733f |
| Source of Spectrum | QA-46-199-4 |
| Wiley ID | 863170 |