| SpectraBase Compound ID | DGT5crpVCE7 |
|---|---|
| InChI | InChI=1S/C31H32O19/c32-11-4-16-12-6-18(28(46-16)10-1-2-13(33)14(34)3-10)48-31-27(42)24(39)22(37)19(49-31)8-44-21(36)7-15(35)29(43)45-9-20-23(38)25(40)26(41)30(50-20)47-17(12)5-11/h1-6,15,19-20,22-27,30-31,35,37-42H,7-9H2,(H2-,32,33,34)/p+1/t15?,19-,20+,22-,23+,24+,25?,26+,27-,30+,31-/m1/s1 |
| InChIKey | QFZHDMKCXNVVKG-VSIMHRGKSA-O |
| Mol Weight | 709.6 g/mol |
| Molecular Formula | C31H33O19 |
| Exact Mass | 709.161604 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E9fxqPdFGG9 |
|---|---|
| Name | CYANIDIN-3,5-DI-O-GLUCOSIDE-(6'',6'''-MALYL-DIESTER) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H33O19 |
| InChI | InChI=1S/C31H32O19/c32-11-4-16-12-6-18(28(46-16)10-1-2-13(33)14(34)3-10)48-31-27(42)24(39)22(37)19(49-31)8-44-21(36)7-15(35)29(43)45-9-20-23(38)25(40)26(41)30(50-20)47-17(12)5-11/h1-6,15,19-20,22-27,30-31,35,37-42H,7-9H2,(H2-,32,33,34)/p+1/t15?,19-,20+,22-,23+,24+,25?,26+,27-,30+,31-/m1/s1 |
| InChIKey | QFZHDMKCXNVVKG-VSIMHRGKSA-O |
| Literature Reference Author | S.J.BLOOR |
| Literature Reference Citation | PHYTOCHEM.,49,225(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)01051-0 |
| Molecular Weight | 709.592 g/mol |
| Solvent | CD3OD:TFA-D |
| Source File Reference | UWLU92 |