| SpectraBase Compound ID | Hllkpyh6HA0 |
|---|---|
| InChI | InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/p-1/b16-11+/t10-,12-,13+,14-,15+/m0/s1 |
| InChIKey | SJHVRBSHKTUXLG-UFYKKMGGSA-M |
| Mol Weight | 462.57 g/mol |
| Molecular Formula | C15H28NO9S3 |
| Exact Mass | 462.09262 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lnhEdHhWxo |
|---|---|
| Name | 7-METHYLSULFANYLGLUCOSINATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H28NO9S3 |
| InChI | InChI=1S/C15H29NO9S3/c1-26-8-6-4-2-3-5-7-11(16-25-28(21,22)23)27-15-14(20)13(19)12(18)10(9-17)24-15/h10,12-15,17-20H,2-9H2,1H3,(H,21,22,23)/p-1/b16-11+/t10-,12-,13+,14-,15+/m0/s1 |
| InChIKey | SJHVRBSHKTUXLG-UFYKKMGGSA-M |
| Literature Reference Author | S.MONTAUT,J.GRANDBOIS,L.RIGHETTI,J.BARILLARI,R.IORI,P.ROLLIN |
| Literature Reference Citation | J.NAT.PROD.,72,889(2009) |
| Literature Reference DOI | 10.1021/np800738w |
| Molecular Weight | 462.569 g/mol |
| Sample ID | 32570 |
| Solvent | D2O |