| SpectraBase Compound ID | 2Pg0qQiOMVZ |
|---|---|
| InChI | InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)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 | BUONZQIZWIITTB-ANWMZRCSSA-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 | 9j2p02rMtMz |
|---|---|
| Name | EPICATECHIN-3'-O-BETA-D-GLUCURONIDE |
| Compound Number | 1G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H22O12 |
| InChI | InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)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 | BUONZQIZWIITTB-ANWMZRCSSA-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 | 42033 |
| Solvent | ACETONE-D6:DMSO-D6=2:1 |