| SpectraBase Compound ID | J69dVotKu1w |
|---|---|
| InChI | InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/p+1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
| InChIKey | XGQPXBKBCOHIQI-YONICNLVSA-O |
| Mol Weight | 743.6 g/mol |
| Molecular Formula | C35H35O18 |
| Exact Mass | 743.182339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jo23rjcH2aS |
|---|---|
| Name | CYANIDIN-3-O-(2-O-BETA-XYLOPYRANOSYL-6-O-(E)-PARA-CAFEOYL)-BETA-GALACTOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H35O18 |
| InChI | InChI=1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/p+1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1 |
| InChIKey | XGQPXBKBCOHIQI-YONICNLVSA-O |
| Literature Reference Author | J.B.LI,F.HASHIMOTO,K.SHIMIZU,Y.SAKATA |
| Literature Reference Citation | PHYTOCHEM.,69,3166(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.03.014 |
| Molecular Weight | 743.652 g/mol |
| Sample ID | 63895 |
| Solvent | CD3OD |