| SpectraBase Compound ID | 1CVOqzBqa5X |
|---|---|
| InChI | InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2/t22-,25-,28+,29+,30+,31-,32-,34+,35+,36-/m1/s1 |
| InChIKey | JUIIUJBWZYKSEP-DXNKJTEVSA-N |
| Mol Weight | 738.7 g/mol |
| Molecular Formula | C36H34O17 |
| Exact Mass | 738.1796 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EIVGNMSlZFH |
|---|---|
| Name | 3-O-BETA-D-GALACTOPYRANOSYL-ENT-EPICATECHIN-(2-ALPHA->7,4-ALPHA->8)-EPICATECHIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H34O17 |
| InChI | InChI=1S/C36H34O17/c37-11-25-29(46)30(47)31(48)35(49-25)51-34-28-26-21(44)7-14(38)8-23(26)52-36(34,13-2-4-17(40)20(43)6-13)53-24-10-18(41)15-9-22(45)32(50-33(15)27(24)28)12-1-3-16(39)19(42)5-12/h1-8,10,22,25,28-32,34-35,37-48H,9,11H2/t22-,25-,28+,29+,30+,31-,32-,34+,35+,36-/m1/s1 |
| InChIKey | JUIIUJBWZYKSEP-DXNKJTEVSA-N |
| Literature Reference Author | L.J.PORTER,Z.MA,B.G.CHAN |
| Literature Reference Citation | PHYTOCHEM.,30,1657(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)84228-K |
| Molecular Weight | 738.656 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU27502 |