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1,4-ANHYDRO-1-[(S)-[(2'S,3'S)-2',4'-DIHYDROXY-3'-(SULFOOXY)-BUTYL]-SELENONIO]-D-ALLITOL-INNER-SALT
SpectraBase Compound ID J3bRTVUWhhF
InChI InChI=1S/C10H20O10SSe/c11-1-5(13)10-9(16)7(15)4-22(10)3-6(14)8(2-12)20-21(17,18)19/h5-16H,1-4H2/t5-,6+,7+,8+,9+,10-,22?/m1/s1
InChIKey MOXXYCUHLUNEHC-NPDDTASJSA-N
Mol Weight 411.29 g/mol
Molecular Formula C10H20O10SSe
Exact Mass 411.99424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gK2401f8Fe
Name 1,4-ANHYDRO-1-[(S)-[(2'S,3'S)-2',4'-DIHYDROXY-3'-(SULFOOXY)-BUTYL]-SELENONIO]-D-ALLITOL-INNER-SALT
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H20O10SSe
InChI InChI=1S/C10H20O10SSe/c11-1-5(13)10-9(16)7(15)4-22(10)3-6(14)8(2-12)20-21(17,18)19/h5-16H,1-4H2/t5-,6+,7+,8+,9+,10-,22?/m1/s1
InChIKey MOXXYCUHLUNEHC-NPDDTASJSA-N
Literature Reference Author H.LIU,B.M.PINTO
Literature Reference Citation CAN.J.CHEM.,84,1351(2006)
Literature Reference DOI 10.1139/v06-100
Molecular Weight 411.283 g/mol
Sample ID 46838
Solvent D2O