![MALVIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE]](/api/spectrum/5CRewt5s2O0/structure.png?h=300&w=458 "MALVIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE]")
| SpectraBase Compound ID | Jksb9RkGLEo |
|---|---|
| InChI | InChI=1S/C31H36O18/c1-11(33)44-10-21-24(37)26(39)28(41)30(49-21)46-16-7-13(34)6-15-14(16)8-19(47-31-27(40)25(38)23(36)20(9-32)48-31)29(45-15)12-4-17(42-2)22(35)18(5-12)43-3/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-/m1/s1 |
| InChIKey | TXAMMFFPHCHNSL-IOUFFHECSA-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 | 5CRewt5s2O0 |
|---|---|
| Name | MALVIDIN-3-O-BETA-D-GLUCOPYRANOSIDE-5-O-BETA-D-[6-O-ACETYLGLUCOPYRANOSIDE] |
| 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)30(49-21)46-16-7-13(34)6-15-14(16)8-19(47-31-27(40)25(38)23(36)20(9-32)48-31)29(45-15)12-4-17(42-2)22(35)18(5-12)43-3/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-/m1/s1 |
| InChIKey | TXAMMFFPHCHNSL-IOUFFHECSA-O |
| Literature Reference Author | K.R.MARKHAM,K.A.MITCHELL,M.R.BOASE |
| Literature Reference Citation | PHYTOCHEM.,45,417(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00831-X |
| Molecular Weight | 697.624 g/mol |
| Solvent | CD3OD:CF3COOD=19:1 |
| Source File Reference | UWSP1391 |