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2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether, methyloxime (isomer 1)

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2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether, methyloxime (isomer 1)
SpectraBase Compound ID 2dnhKaKMPA
InChI InChI=1S/C37H89NO11Si8/c1-39-38-26-29(32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)28-41-51(5,6)7)42-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
InChIKey MRJCSXFCSPYKSK-DZTJYMNTSA-N
Mol Weight 948.8 g/mol
Molecular Formula C37H89NO11Si8
Exact Mass 947.458975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3keWBrRyXPh
Name 2-.alpha.-Mannobiose, octakis(trimethylsilyl) ether, methyloxime (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 947.458974959 u
Formula C37H89NO11Si8
InChI InChI=1S/C37H89NO11Si8/c1-39-38-26-29(32(45-53(11,12)13)34(47-55(17,18)19)31(44-52(8,9)10)28-41-51(5,6)7)42-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
InChIKey MRJCSXFCSPYKSK-DZTJYMNTSA-N
Molecular Weight 948.795 g/mol
SMILES C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)OC(\C=N\OC)C(C(C(CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C