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(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol, 4tms

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(2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol, 4tms
SpectraBase Compound ID Kn1aVz8gU7g
InChI InChI=1S/C23H54O6Si4/c1-15-18(2)16-24-23-22(29-33(12,13)14)21(28-32(9,10)11)20(27-31(6,7)8)19(26-23)17-25-30(3,4)5/h18-23H,15-17H2,1-14H3/t18?,19-,20-,21+,22-,23-/m1/s1
InChIKey QQHOXDFDWHIMSI-QGFPMTTESA-N
Mol Weight 539.0 g/mol
Molecular Formula C23H54O6Si4
Exact Mass 538.299746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bbtbNWn13X
Name (2R,3S,4S,5R,6R)-2-(Hydroxymethyl)-6-(2-methylbutoxy)oxane-3,4,5-triol, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.299745593 u
Formula C23H54O6Si4
InChI InChI=1S/C23H54O6Si4/c1-15-18(2)16-24-23-22(29-33(12,13)14)21(28-32(9,10)11)20(27-31(6,7)8)19(26-23)17-25-30(3,4)5/h18-23H,15-17H2,1-14H3/t18?,19-,20-,21+,22-,23-/m1/s1
InChIKey QQHOXDFDWHIMSI-QGFPMTTESA-N
Molecular Weight 539.019 g/mol
SMILES [C@]1(OCC(CC)C)(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]