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.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, 5tms

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.beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, 5tms
SpectraBase Compound ID Cee1xa1rUdH
InChI InChI=1S/C30H60O7Si5/c1-38(2,3)31-22-16-17-24-18-20-25(21-19-24)33-30-29(37-42(13,14)15)28(36-41(10,11)12)27(35-40(7,8)9)26(34-30)23-32-39(4,5)6/h16-21,26-30H,22-23H2,1-15H3/b17-16+/t26-,27-,28+,29-,30-/m1/s1
InChIKey KMJNGSYWTIOBSB-NMPINVEUSA-N
Mol Weight 673.2 g/mol
Molecular Formula C30H60O7Si5
Exact Mass 672.318537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECesa3iCXJ1
Name .beta.-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]phenyl, 5tms
Comments Computed using HOSE algorithm
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Exact Mass 672.318536940 u
Formula C30H60O7Si5
InChI InChI=1S/C30H60O7Si5/c1-38(2,3)31-22-16-17-24-18-20-25(21-19-24)33-30-29(37-42(13,14)15)28(36-41(10,11)12)27(35-40(7,8)9)26(34-30)23-32-39(4,5)6/h16-21,26-30H,22-23H2,1-15H3/b17-16+/t26-,27-,28+,29-,30-/m1/s1
InChIKey KMJNGSYWTIOBSB-NMPINVEUSA-N
Molecular Weight 673.228 g/mol
SMILES C1=C(C=CC(=C1)\C=C\CO[Si](C)(C)C)O[C@]1([C@@]([C@]([C@@]([C@](O1)(CO[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])[H]