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6-Hydroxyflavone-.beta.-D-glucoside, tetra(trimethylsilyl)-
SpectraBase Compound ID 7EySNSnHHK2
InChI InChI=1S/C33H52O8Si4/c1-42(2,3)35-22-29-30(39-43(4,5)6)31(40-44(7,8)9)32(41-45(10,11)12)33(38-29)36-24-18-19-27-25(20-24)26(34)21-28(37-27)23-16-14-13-15-17-23/h13-21,29-33H,22H2,1-12H3/t29-,30-,31+,32-,33-/m1/s1
InChIKey LADGMRPRKXBSGF-IZDBAANZSA-N
Mol Weight 689.1 g/mol
Molecular Formula C33H52O8Si4
Exact Mass 688.273925 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gsoBYiHgEs
Name 6-Hydroxyflavone-.beta.-D-glucoside, tetra(trimethylsilyl)-
Comments Computed using HOSE algorithm
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Exact Mass 688.273924766 u
Formula C33H52O8Si4
InChI InChI=1S/C33H52O8Si4/c1-42(2,3)35-22-29-30(39-43(4,5)6)31(40-44(7,8)9)32(41-45(10,11)12)33(38-29)36-24-18-19-27-25(20-24)26(34)21-28(37-27)23-16-14-13-15-17-23/h13-21,29-33H,22H2,1-12H3/t29-,30-,31+,32-,33-/m1/s1
InChIKey LADGMRPRKXBSGF-IZDBAANZSA-N
Molecular Weight 689.111 g/mol
SMILES C1=2OC(=CC(C2C=C(O[C@@]2(O[C@@]([C@]([C@](O[Si](C)(C)C)([C@]2(O[Si](C)(C)C)[H])[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H])C=C1)=O)C1=CC=CC=C1