| SpectraBase Compound ID | F95ezZCvKm6 |
|---|---|
| InChI | InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16-,17-,18+,19-,20-,22+/m1/s1 |
| InChIKey | OQBMUBCLLAWJHJ-UCVYIILISA-N |
| Mol Weight | 480.42 g/mol |
| Molecular Formula | C22H24O12 |
| Exact Mass | 480.126776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A30e4JG2kGb |
|---|---|
| Name | 3'-O-METHYLEPICATECHIN-4'-O-BETA-D-GLUCURONIDE |
| Compound Number | 5G |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H24O12 |
| InChI | InChI=1S/C22H24O12/c1-31-15-4-8(19-12(25)7-10-11(24)5-9(23)6-14(10)32-19)2-3-13(15)33-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,12,16-20,22-28H,7H2,1H3,(H,29,30)/t12-,16-,17-,18+,19-,20-,22+/m1/s1 |
| InChIKey | OQBMUBCLLAWJHJ-UCVYIILISA-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 | 480.425 g/mol |
| Sample ID | 42037 |
| Solvent | D2O |