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(2R,3R,4S,5S,6R)-2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4tms

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(2R,3R,4S,5S,6R)-2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4tms
SpectraBase Compound ID 6jvd7dQbn9D
InChI InChI=1S/C24H56O6Si4/c1-14-15-16-17-18-25-24-23(30-34(11,12)13)22(29-33(8,9)10)21(28-32(5,6)7)20(27-24)19-26-31(2,3)4/h20-24H,14-19H2,1-13H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey XRMGMHMIFMVHCC-GNADVCDUSA-N
Mol Weight 553.0 g/mol
Molecular Formula C24H56O6Si4
Exact Mass 552.315396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GVXGwv7vIi
Name (2R,3R,4S,5S,6R)-2-Hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 552.315395657 u
Formula C24H56O6Si4
InChI InChI=1S/C24H56O6Si4/c1-14-15-16-17-18-25-24-23(30-34(11,12)13)22(29-33(8,9)10)21(28-32(5,6)7)20(27-24)19-26-31(2,3)4/h20-24H,14-19H2,1-13H3/t20-,21-,22+,23-,24-/m1/s1
InChIKey XRMGMHMIFMVHCC-GNADVCDUSA-N
Molecular Weight 553.046 g/mol
SMILES CCCCCCO[C@@]1(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H]