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tms(2-o-.beta.-D-Glucopyranosyl-D-glucose)
SpectraBase Compound ID I52dg4iw36e
InChI InChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29-,30?,31?,32-,33?,34+,35-,36+/m0/s1
InChIKey UXXXBYOCJHWUAV-NQMVNWJLSA-N
Mol Weight 919.8 g/mol
Molecular Formula C36H86O11Si8
Exact Mass 918.432426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FSbfB3LaQQ
Name tms(2-o-.beta.-D-Glucopyranosyl-D-glucose)
Comments Computed using HOSE algorithm
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Exact Mass 918.432425858 u
Formula C36H86O11Si8
InChI InChI=1S/C36H86O11Si8/c1-48(2,3)38-26-29-32(44-52(13,14)15)34(46-54(19,20)21)35(47-55(22,23)24)36(41-29)40-28(25-37)31(43-51(10,11)12)33(45-53(16,17)18)30(42-50(7,8)9)27-39-49(4,5)6/h25,28-36H,26-27H2,1-24H3/t28-,29-,30?,31?,32-,33?,34+,35-,36+/m0/s1
InChIKey UXXXBYOCJHWUAV-NQMVNWJLSA-N
Molecular Weight 919.753 g/mol
SMILES [C@]1([C@@]([C@](O[C@](C(C(C(O[Si](C)(C)C)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)(C=O)[H])(O[C@]([C@@]1(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]