| SpectraBase Compound ID | CNM4BbmmVOh |
|---|---|
| InChI | InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26-,27-,30-,31-,32+,33+,34-,35-,37-,38-/m1/s1 |
| InChIKey | KGEHZUCHEKVXEU-GRFZEYSCSA-O |
| Mol Weight | 801.7 g/mol |
| Molecular Formula | C38H41O19 |
| Exact Mass | 801.224204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LAXRCMVF5P0 |
|---|---|
| Name | MALVIDIN_3-O-(6''-O-(E)-PARA-COUMAROYL-BETA-GLUCOPYRANOSIDE)-5-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H41O19 |
| InChI | InChI=1S/C38H40O19/c1-50-23-9-17(10-24(51-2)29(23)43)36-25(13-20-21(53-36)11-19(41)12-22(20)54-37-34(48)32(46)30(44)26(14-39)56-37)55-38-35(49)33(47)31(45)27(57-38)15-52-28(42)8-5-16-3-6-18(40)7-4-16/h3-13,26-27,30-35,37-39,44-49H,14-15H2,1-2H3,(H2-,40,41,42,43)/p+1/t26-,27-,30-,31-,32+,33+,34-,35-,37-,38-/m1/s1 |
| InChIKey | KGEHZUCHEKVXEU-GRFZEYSCSA-O |
| Literature Reference Author | T.FOSSEN,S.RAYYAN,M.H.HOLMBERG,H.S.NATELAND,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,66,1133(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.04.009 |
| Molecular Weight | 801.732 g/mol |
| Solvent | CF3COOD:CD3OD=5:95 |
| Source File Reference | UWMZ22306 |