| SpectraBase Compound ID | LLB7IoN1AU5 |
|---|---|
| InChI | InChI=1S/C31H36O18/c1-11(33)44-10-21-24(37)26(39)28(41)31(49-21)47-19-8-14-15(45-29(19)12-4-17(42-2)22(35)18(5-12)43-3)6-13(34)7-16(14)46-30-27(40)25(38)23(36)20(9-32)48-30/h4-8,20-21,23-28,30-32,36-41H,9-10H2,1-3H3,(H-,34,35)/p+1/t20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m0/s1 |
| InChIKey | CXOWDWWWNNFRII-BFBZILSDSA-O |
| Mol Weight | 697.6 g/mol |
| Molecular Formula | C31H37O18 |
| Exact Mass | 697.197989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1rKLwFVDAt9 |
|---|---|
| Name | MALVIDIN-3-O-(6-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)-5-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H37O18 |
| InChI | InChI=1S/C31H36O18/c1-11(33)44-10-21-24(37)26(39)28(41)31(49-21)47-19-8-14-15(45-29(19)12-4-17(42-2)22(35)18(5-12)43-3)6-13(34)7-16(14)46-30-27(40)25(38)23(36)20(9-32)48-30/h4-8,20-21,23-28,30-32,36-41H,9-10H2,1-3H3,(H-,34,35)/p+1/t20-,21-,23-,24-,25+,26+,27-,28-,30-,31-/m0/s1 |
| InChIKey | CXOWDWWWNNFRII-BFBZILSDSA-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 | 697.624 g/mol |
| Solvent | CD3OD:CF3CO2D=9:1 |
| Source File Reference | UWMS4080 |