| SpectraBase Compound ID | Iz3G3Lby0Bm |
|---|---|
| InChI | InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1 |
| InChIKey | RDUAJIJVNHKTQC-UJECXLDQSA-N |
| Mol Weight | 626.52 g/mol |
| Molecular Formula | C27H30O17 |
| Exact Mass | 626.148299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IcxPDIQfVLK |
|---|---|
| Name | QUERCETIN_3-O-SOPHOROSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H30O17 |
| InChI | InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1 |
| InChIKey | RDUAJIJVNHKTQC-UJECXLDQSA-N |
| Literature Reference Author | M.VEIT,H.GEIGER,F.C.CZYGAN,K.R.MARKHAM |
| Literature Reference Citation | PHYTOCHEM.,29,2555(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85187-K |
| Molecular Weight | 626.525 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWMZ21105 |