| SpectraBase Compound ID | AWR59Wu1DLc |
|---|---|
| InChI | InChI=1S/C22H20O6S/c23-14-9-17(26)19-18(10-14)28-21(13-6-7-15(24)16(25)8-13)20(27)22(19)29-11-12-4-2-1-3-5-12/h1-10,20-27H,11H2/t20-,21+,22?/m0/s1 |
| InChIKey | YYEFTOIQHQHUQZ-UGGDCYSXSA-N |
| Mol Weight | 412.46 g/mol |
| Molecular Formula | C22H20O6S |
| Exact Mass | 412.09806 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bkw9Xn6l1n |
|---|---|
| Name | 4-BENZYLTHIOEPICATECHIN |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H20O6S |
| InChI | InChI=1S/C22H20O6S/c23-14-9-17(26)19-18(10-14)28-21(13-6-7-15(24)16(25)8-13)20(27)22(19)29-11-12-4-2-1-3-5-12/h1-10,20-27H,11H2/t20-,21+,22?/m0/s1 |
| InChIKey | YYEFTOIQHQHUQZ-UGGDCYSXSA-N |
| Literature Reference Author | L.C.LIN,Y.C.KUO,C.J.CHOU |
| Literature Reference Citation | J.NAT.PROD.,65,505(2002) |
| Literature Reference DOI | 10.1021/np010414l |
| Molecular Weight | 412.457 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI5572 |