| SpectraBase Compound ID | A597o4DaFdV |
|---|---|
| InChI | InChI=1S/C36H36O17/c37-11-25-29(47)30(48)31(49)36(51-25)53-35-28(26-21(44)7-14(38)8-24(26)50-33(35)13-2-4-17(40)20(43)6-13)27-22(45)10-18(41)15-9-23(46)32(52-34(15)27)12-1-3-16(39)19(42)5-12/h1-8,10,23,25,28-33,35-49H,9,11H2/t23-,25-,28-,29-,30+,31-,32+,33+,35-,36+/m0/s1 |
| InChIKey | MLAXDMFACGRWAX-ICRHLIIMSA-N |
| Mol Weight | 740.7 g/mol |
| Molecular Formula | C36H36O17 |
| Exact Mass | 740.19525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JFAwwDlTkT |
|---|---|
| Name | 3-O-(BETA-D-GLUCOPYRANOSYL)-CATECHIN-(4-ALPHA->8)-CATECHIN |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H36O17 |
| InChI | InChI=1S/C36H36O17/c37-11-25-29(47)30(48)31(49)36(51-25)53-35-28(26-21(44)7-14(38)8-24(26)50-33(35)13-2-4-17(40)20(43)6-13)27-22(45)10-18(41)15-9-23(46)32(52-34(15)27)12-1-3-16(39)19(42)5-12/h1-8,10,23,25,28-33,35-49H,9,11H2/t23-,25-,28-,29-,30+,31-,32+,33+,35-,36+/m0/s1 |
| InChIKey | MLAXDMFACGRWAX-ICRHLIIMSA-N |
| Literature Reference Author | Y.S.BAE,J.F.W.BURGER,J.P.STEYNBERG,D.FERREIRA,R.W.HEMINGWAY |
| Literature Reference Citation | PHYTOCHEM.,35,473(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)94785-X |
| Molecular Weight | 740.672 g/mol |
| Solvent | CD3OD:D2O |
| Source File Reference | UWLU24562 |