| SpectraBase Compound ID | LbzLXxQnKwE |
|---|---|
| InChI | InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1 |
| InChIKey | KGLMKAPOVXBIJB-CVPXIJHMSA-N |
| Mol Weight | 466.4 g/mol |
| Molecular Formula | C21H22O12 |
| Exact Mass | 466.111126 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEyYANf2gph |
|---|---|
| Name | EPICATECHIN-5-O-BETA-D-GLUCURONIDE |
| Compound Number | 3G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O12 |
| InChI | InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1 |
| InChIKey | KGLMKAPOVXBIJB-CVPXIJHMSA-N |
| Literature Reference Author | M.ZHANG,G.E.JAGDMANN,M.VANZANDT,R.SHEELER,P.BECKETT,H.SCHROE TER |
| Literature Reference Citation | J.NAT.PROD.,76,157(2013) |
| Literature Reference DOI | 10.1021/np300568m |
| Molecular Weight | 466.398 g/mol |
| Sample ID | 42035 |
| Solvent | ACETONE-D6+10%_D2O |