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1,5-ANHYDRO-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4',5',6'-TETRAHYDROXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-GULITOL-INNER-SALT
SpectraBase Compound ID 5DMWLYL8neb
InChI InChI=1S/C12H24O12S2/c13-1-5(15)10(19)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)11(20)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8+,9-,10-,11-,12+,25?/m1/s1
InChIKey VMCBTCJRLHHNMV-DAIUPQMGSA-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 JhQr4qoqiK2
Name 1,5-ANHYDRO-1-[(S)-[(2'R,3'S,4'R,5'R)-2',4',5',6'-TETRAHYDROXY-3'-(SULFOOXY)-HEXYL]-SULFONIO]-L-GULITOL-INNER-SALT
Compound Number 5
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)10(19)12(24-26(21,22)23)7(17)4-25-3-6(16)9(18)11(20)8(25)2-14/h5-20H,1-4H2/t5-,6-,7-,8+,9-,10-,11-,12+,25?/m1/s1
InChIKey VMCBTCJRLHHNMV-DAIUPQMGSA-N
Literature Reference Author H.LIU,B.M.PINTO
Literature Reference Citation CAN.J.CHEM.,84,497(2006)
Literature Reference DOI 10.1139/v06-027
Molecular Weight 424.435 g/mol
Sample ID 46857
Solvent D2O