| SpectraBase Compound ID | 5qHmj1FvAWB |
|---|---|
| InChI | InChI=1S/C15H21NO9S2.K/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9;/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23);/q;+1/p-1/b16-11+;/t10-,12-,13+,14-,15+;/m0./s1 |
| InChIKey | GRDVEEVTGDFZCR-XYCPKINISA-M |
| Mol Weight | 461.54 g/mol |
| Molecular Formula | C15H20KNO9S2 |
| Exact Mass | 461.021655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | V6YYkf8R0s |
|---|---|
| Name | GLUCONASTURTIIN;GST;POTASSIUM-2-PHENYLETHYL-GLUCOSINOLATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H20KNO9S2 |
| InChI | InChI=1S/C15H21NO9S2.K/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9;/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23);/q;+1/p-1/b16-11+;/t10-,12-,13+,14-,15+;/m0./s1 |
| InChIKey | GRDVEEVTGDFZCR-XYCPKINISA-M |
| Literature Reference Author | J.BARILLARI,D.GUEYRARD,P.ROLLIN,R.IORI |
| Literature Reference Citation | FITOTERAPIA,72,760(2001) |
| Literature Reference DOI | 10.1016/S0367-326X(01)00320-3 |
| Molecular Weight | 461.543 g/mol |
| Solvent | D2O |
| Source File Reference | UWVN4085 |