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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]-SULFONIO]-D-ALLITOL-INNER-SALT
SpectraBase Compound ID J4HD2nyUZbR
InChI InChI=1S/C12H24O12S2/c13-1-5(15)9(19)11(24-26(21,22)23)8(18)4-25-3-7(17)10(20)12(25)6(16)2-14/h5-20H,1-4H2/t5-,6-,7+,8-,9-,10+,11+,12-,25?/m1/s1
InChIKey QQXVHBZMAJOTNQ-UJWJWDRQSA-N
Mol Weight 424.43 g/mol
Molecular Formula C12H24O12S2
Exact Mass 424.070919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOgv7aNUOd6
Name 1,4-ANHYDRO-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4',5',6'-TETRAHYDROXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-D-ALLITOL-INNER-SALT
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H24O12S2
InChI InChI=1S/C12H24O12S2/c13-1-5(15)9(19)11(24-26(21,22)23)8(18)4-25-3-7(17)10(20)12(25)6(16)2-14/h5-20H,1-4H2/t5-,6-,7+,8-,9-,10+,11+,12-,25?/m1/s1
InChIKey QQXVHBZMAJOTNQ-UJWJWDRQSA-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 424.435 g/mol
Sample ID 46842
Solvent D2O