| SpectraBase Compound ID | CwRpZywmhW2 |
|---|---|
| InChI | InChI=1S/C22H28O15/c1-32-8-4-9(15(28)19-7(8)2-3-12(25)36-19)33-22-20(17(30)14(27)11(6-24)35-22)37-21-18(31)16(29)13(26)10(5-23)34-21/h2-4,10-11,13-14,16-18,20-24,26-31H,5-6H2,1H3/t10-,11-,13-,14-,16+,17+,18-,20-,21+,22-/m0/s1 |
| InChIKey | ZDVLKNZPRXEOBO-VTWKJHGZSA-N |
| Mol Weight | 532.45 g/mol |
| Molecular Formula | C22H28O15 |
| Exact Mass | 532.14282 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FXAAozQ1iZG |
|---|---|
| Name | 7,8-DIHYDROXY-5-METHOXYCOUMARIN-7-BETA-SOPHOROSIDE |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28O15 |
| InChI | InChI=1S/C22H28O15/c1-32-8-4-9(15(28)19-7(8)2-3-12(25)36-19)33-22-20(17(30)14(27)11(6-24)35-22)37-21-18(31)16(29)13(26)10(5-23)34-21/h2-4,10-11,13-14,16-18,20-24,26-31H,5-6H2,1H3/t10-,11-,13-,14-,16+,17+,18-,20-,21+,22-/m0/s1 |
| InChIKey | ZDVLKNZPRXEOBO-VTWKJHGZSA-N |
| Literature Reference Author | M.JUNG,H.GEIGER,H.D.ZINSMEISTER |
| Literature Reference Citation | PHYTOCHEM.,39,379(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00888-Z |
| Molecular Weight | 532.455 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ8486 |