| SpectraBase Compound ID | 13AwymayFE9 |
|---|---|
| InChI | InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1 |
| InChIKey | QVULQDHVHOUFCX-AQFMKAHKSA-O |
| Mol Weight | 561.47 g/mol |
| Molecular Formula | C26H25O14 |
| Exact Mass | 561.12443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5VhraJeuT0g |
|---|---|
| Name | MALVIDIN-3-O-BETA-D-GLUCOPYRANOSYL-PYRUVIC-ACID-ADDUCT |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H25O14 |
| InChI | InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1 |
| InChIKey | QVULQDHVHOUFCX-AQFMKAHKSA-O |
| Literature Reference Author | H.FULCRAND,C.BENABDELJALIL,J.RIGAUD,V.CHEYNIER,M.MOUTOUNET |
| Literature Reference Citation | PHYTOCHEM.,47,1401(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00772-3 |
| Molecular Weight | 561.476 g/mol |
| Solvent | TFA:DMSO-D6=1:10 |
| Source File Reference | UWMS776 |