| SpectraBase Compound ID | KV1kT3bA2H0 |
|---|---|
| InChI | InChI=1S/C17H18O7S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-23H,3-4H2/t15-,16+,17-/m1/s1 |
| InChIKey | BNJBYQFQHGYLDZ-IXDOHACOSA-N |
| Mol Weight | 366.38 g/mol |
| Molecular Formula | C17H18O7S |
| Exact Mass | 366.077324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1VroGEj2UAq |
|---|---|
| Name | (-)-4-beta-(2-HYDROXY-ETHYL-SULFONYL)-EPICATECHIN |
| Compound Number | 1 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C17H18O7S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-23H,3-4H2/t15-,16+,17-/m1/s1 |
| InChIKey | BNJBYQFQHGYLDZ-IXDOHACOSA-N |
| Literature Reference | T.TANAKA,R.TAKAHASHI,I.KOUNO,G.NONAKA J.CHEM.SOC.PERKIN-1,3013(1994) |
| Solvent | Acetone-d6:Deuterium oxide |