![#7;RUTARENSIN;DAPHNORIN-6''-HYDROXYMETHYLGLUTARATE;7-O-[BETA-D-GLUCO-6-(3-HYDROXY-3-METHYLGLUTARYL)-PYRANOSYL]-6-METHOXY-3-[(2-OXO-2H-1-BENZOPYRAN-7-YL)-OXY]-2H](/api/spectrum/CXwjU0Kkw8J/structure.png?h=300&w=458 "#7;RUTARENSIN;DAPHNORIN-6''-HYDROXYMETHYLGLUTARATE;7-O-[BETA-D-GLUCO-6-(3-HYDROXY-3-METHYLGLUTARYL)-PYRANOSYL]-6-METHOXY-3-[(2-OXO-2H-1-BENZOPYRAN-7-YL)-OXY]-2H")
| SpectraBase Compound ID | 10cQaNJXsQh |
|---|---|
| InChI | InChI=1S/C31H30O16/c1-31(40,11-24(33)42-13-22-26(35)27(36)28(37)30(39)47-22)12-25(34)45-20-10-18-15(7-19(20)41-2)8-21(29(38)46-18)43-16-5-3-14-4-6-23(32)44-17(14)9-16/h3-10,22,26-28,30,35-37,39-40H,11-13H2,1-2H3/t22-,26-,27+,28-,30-,31?/m1/s1 |
| InChIKey | OPRWTYMRQKPWIL-AEJCFSGASA-N |
| Mol Weight | 658.57 g/mol |
| Molecular Formula | C31H30O16 |
| Exact Mass | 658.153385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CXwjU0Kkw8J |
|---|---|
| Name | #7;RUTARENSIN;DAPHNORIN-6''-HYDROXYMETHYLGLUTARATE;7-O-[BETA-D-GLUCO-6-(3-HYDROXY-3-METHYLGLUTARYL)-PYRANOSYL]-6-METHOXY-3-[(2-OXO-2H-1-BENZOPYRAN-7-YL)-OXY]-2H |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30O16 |
| InChI | InChI=1S/C31H30O16/c1-31(40,11-24(33)42-13-22-26(35)27(36)28(37)30(39)47-22)12-25(34)45-20-10-18-15(7-19(20)41-2)8-21(29(38)46-18)43-16-5-3-14-4-6-23(32)44-17(14)9-16/h3-10,22,26-28,30,35-37,39-40H,11-13H2,1-2H3/t22-,26-,27+,28-,30-,31?/m1/s1 |
| InChIKey | OPRWTYMRQKPWIL-AEJCFSGASA-N |
| Literature Reference Author | B.KREHER,A.NESZMELYI,H.WAGNER |
| Literature Reference Citation | PHYTOCHEM.,29,3633(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85290-V |
| Molecular Weight | 658.570 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWLU26929 |