| SpectraBase Compound ID | I0Mg1V4UYB7 |
|---|---|
| InChI | InChI=1S/C34H34O19/c1-11-24(41)27(44)29(46)33(49-11)48-10-23-26(43)28(45)31(53-32(47)13-5-19(39)25(42)20(40)6-13)34(52-23)51-22-9-15-17(37)7-14(35)8-21(15)50-30(22)12-2-3-16(36)18(38)4-12/h2-9,11,23-24,26-29,31,33-34,41,43-46H,10H2,1H3,(H6-,35,36,37,38,39,40,42,47)/p+1/t11-,23+,24-,26-,27+,28-,29+,31+,33+,34+/m1/s1 |
| InChIKey | JXHSTLRCBJYSKK-AYYSOARVSA-O |
| Mol Weight | 747.6 g/mol |
| Molecular Formula | C34H35O19 |
| Exact Mass | 747.177254 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5v4PTXdNd44 |
|---|---|
| Name | CYANIDIN-3-O-(2''-O-GALLOYL-6''-O-ALPHA-RHAMNOPYRANOSYL-BETA-GALACTOPYRANOSIDE) |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H35O19 |
| InChI | InChI=1S/C34H34O19/c1-11-24(41)27(44)29(46)33(49-11)48-10-23-26(43)28(45)31(53-32(47)13-5-19(39)25(42)20(40)6-13)34(52-23)51-22-9-15-17(37)7-14(35)8-21(15)50-30(22)12-2-3-16(36)18(38)4-12/h2-9,11,23-24,26-29,31,33-34,41,43-46H,10H2,1H3,(H6-,35,36,37,38,39,40,42,47)/p+1/t11-,23+,24-,26-,27+,28-,29+,31+,33+,34+/m1/s1 |
| InChIKey | JXHSTLRCBJYSKK-AYYSOARVSA-O |
| Literature Reference Author | B.REIERSEN,B.T.KIREMIRE,R.BYAMUKAMA,O.M.ANDERSEN |
| Literature Reference Citation | PHYTOCHEM.,64,867(2003) |
| Literature Reference DOI | 10.1016/S0031-9422(03)00494-1 |
| Molecular Weight | 747.640 g/mol |
| Solvent | CD3OD:CF3CO2D=20:1 |
| Source File Reference | UWKP5852 |