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7-METHYLSULFANYLGLUCOSINATE
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

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