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1,4-ANHYDRO-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4',5',6'-TETRAHYDROXY-3'-(SULFOOXY)-HEXYL]-SELENONIO]-D-ALLITOL-INNER-SALT
SpectraBase Compound ID 9NN0QX62wq3
InChI InChI=1S/C12H24O12SSe/c13-1-5(15)9(19)11(24-25(21,22)23)8(18)4-26-3-7(17)10(20)12(26)6(16)2-14/h5-20H,1-4H2/t5-,6-,7+,8-,9-,10+,11+,12-,26?/m1/s1
InChIKey DPHYGQSZYTVRPX-MZSJUUFUSA-N
Mol Weight 471.34 g/mol
Molecular Formula C12H24O12SSe
Exact Mass 472.015369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNodJaf2Tu9
Name 1,4-ANHYDRO-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4',5',6'-TETRAHYDROXY-3'-(SULFOOXY)-HEXYL]-SELENONIO]-D-ALLITOL-INNER-SALT
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24O12SSe
InChI InChI=1S/C12H24O12SSe/c13-1-5(15)9(19)11(24-25(21,22)23)8(18)4-26-3-7(17)10(20)12(26)6(16)2-14/h5-20H,1-4H2/t5-,6-,7+,8-,9-,10+,11+,12-,26?/m1/s1
InChIKey DPHYGQSZYTVRPX-MZSJUUFUSA-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 471.335 g/mol
Sample ID 46841
Solvent D2O