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1,4-DIDEOXY-1,4-[[(2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
SpectraBase Compound ID EhpEmd8878x
InChI InChI=1S/C9H18O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2/t5-,6-,7-,8-,9+,20?/m1/s1
InChIKey MNKLUXFUQDWBAR-OMVCFKDASA-N
Mol Weight 381.27 g/mol
Molecular Formula C9H18O9SSe
Exact Mass 381.983675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4l3jP5BKeJY
Name 1,4-DIDEOXY-1,4-[[(2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
Compound Number 11-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H18O9SSe
InChI InChI=1S/C9H18O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2/t5-,6-,7-,8-,9+,20?/m1/s1
InChIKey MNKLUXFUQDWBAR-OMVCFKDASA-N
Literature Reference Author B.D.JOHNSTON,A.GHAVAMI,M.T.JENSEN,B.SVENSSON,B.M.PINTO
Literature Reference Citation J.AM.CHEM.SOC.,124,8245(2002)
Literature Reference DOI 10.1021/ja020299g
Molecular Weight 381.257 g/mol
Sample ID 34017
Solvent D2O