| SpectraBase Compound ID | 8Ozok1PlJlF |
|---|---|
| InChI | InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1 |
| InChIKey | CILLXFBAACIQNS-BTXJZROQSA-O |
| Mol Weight | 655.6 g/mol |
| Molecular Formula | C29H35O17 |
| Exact Mass | 655.187425 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aeZDzudIv0 |
|---|---|
| Name | MALVIDIN-3,5-DI-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H35O17 |
| InChI | InChI=1S/C29H34O17/c1-40-15-3-10(4-16(41-2)20(15)33)27-17(44-29-26(39)24(37)22(35)19(9-31)46-29)7-12-13(42-27)5-11(32)6-14(12)43-28-25(38)23(36)21(34)18(8-30)45-28/h3-7,18-19,21-26,28-31,34-39H,8-9H2,1-2H3,(H-,32,33)/p+1/t18-,19-,21-,22-,23+,24+,25-,26-,28-,29-/m1/s1 |
| InChIKey | CILLXFBAACIQNS-BTXJZROQSA-O |
| Literature Reference Author | O.M.ANDERSEN,R.I.VIKSUND,A.T.PEDERSEN |
| Literature Reference Citation | PHYTOCHEM.,38,1513(1995) |
| Literature Reference DOI | 10.1016/0031-9422(94)00898-4 |
| Molecular Weight | 655.587 g/mol |
| Solvent | CD3OD:CF3CO2D=9:1 |
| Source File Reference | UWMS4081 |