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3-((.beta.-D-glucopyranosyloxy)methyl)-2,4,4-trimethylcyclohex-2-en-1-ol, 5tms derivative

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3-((.beta.-D-glucopyranosyloxy)methyl)-2,4,4-trimethylcyclohex-2-en-1-ol, 5tms derivative
SpectraBase Compound ID 25yheYfuP7h
InChI InChI=1S/C31H68O7Si5/c1-23-24(31(2,3)20-19-25(23)35-40(7,8)9)21-32-30-29(38-43(16,17)18)28(37-42(13,14)15)27(36-41(10,11)12)26(34-30)22-33-39(4,5)6/h25-30H,19-22H2,1-18H3/t25?,26-,27-,28+,29-,30-/m1/s1
InChIKey WBTBNCGLXDONHH-GQJOAHMLSA-N
Mol Weight 693.3 g/mol
Molecular Formula C31H68O7Si5
Exact Mass 692.381137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4YMMdtIpZgF
Name 3-((.beta.-D-glucopyranosyloxy)methyl)-2,4,4-trimethylcyclohex-2-en-1-ol, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 692.381137198 u
Formula C31H68O7Si5
InChI InChI=1S/C31H68O7Si5/c1-23-24(31(2,3)20-19-25(23)35-40(7,8)9)21-32-30-29(38-43(16,17)18)28(37-42(13,14)15)27(36-41(10,11)12)26(34-30)22-33-39(4,5)6/h25-30H,19-22H2,1-18H3/t25?,26-,27-,28+,29-,30-/m1/s1
InChIKey WBTBNCGLXDONHH-GQJOAHMLSA-N
SMILES C1(C(=C(C(CC1)(C)C)CO[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])C)O[Si](C)(C)C