| SpectraBase Compound ID | AZhkhUm52s3 |
|---|---|
| InChI | InChI=1S/C31H34O19/c1-44-21(37)8-22(38)45-10-20-24(40)29(50-30-26(42)25(41)23(39)19(9-32)48-30)27(43)31(49-20)47-18-7-13-15(35)5-12(33)6-17(13)46-28(18)11-2-3-14(34)16(36)4-11/h2-7,19-20,23-27,29-32,39-43H,8-10H2,1H3,(H3-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26-,27-,29+,30+,31-/m1/s1 |
| InChIKey | KMLPHBZWCZYJJY-SKVAVYTJSA-O |
| Mol Weight | 711.6 g/mol |
| Molecular Formula | C31H35O19 |
| Exact Mass | 711.177254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9nYMAqtxHqG |
|---|---|
| Name | CYANIDIN-3-O-(3''-O-BETA-GLUCOPYRANOSYL-6''-O-METHYLMALONYL-BETA-GLUCOPYRANOSIDE) |
| Compound Number | 9B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H35O19 |
| InChI | InChI=1S/C31H34O19/c1-44-21(37)8-22(38)45-10-20-24(40)29(50-30-26(42)25(41)23(39)19(9-32)48-30)27(43)31(49-20)47-18-7-13-15(35)5-12(33)6-17(13)46-28(18)11-2-3-14(34)16(36)4-11/h2-7,19-20,23-27,29-32,39-43H,8-10H2,1H3,(H3-,33,34,35,36)/p+1/t19-,20-,23-,24-,25+,26-,27-,29+,30+,31-/m1/s1 |
| InChIKey | KMLPHBZWCZYJJY-SKVAVYTJSA-O |
| Literature Reference Author | T.FOSSEN,R.SLIMESTAD,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,64,1367(2003) |
| Literature Reference DOI | 10.1016/j.phytochem.2003.08.019 |
| Molecular Weight | 711.607 g/mol |
| Solvent | CF3CO2D:CD3OD=5:95 |
| Source File Reference | UWKP5804 |