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7-Hydroxyflavanone .beta.-D-glucopyranoside, 4tms
SpectraBase Compound ID 7ghLs8tokmM
InChI InChI=1S/C33H54O8Si4/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)36-24-18-19-25-26(34)21-27(37-28(25)20-24)23-16-14-13-15-17-23/h13-20,27,29-33H,21-22H2,1-12H3/t27?,29-,30-,31+,32-,33-/m1/s1
InChIKey XEWTUVRAJKHEHY-OKNHDAMZSA-N
Mol Weight 691.1 g/mol
Molecular Formula C33H54O8Si4
Exact Mass 690.289575 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39sv8yenQ4T
Name 7-Hydroxyflavanone .beta.-D-glucopyranoside, 4tms
Comments Computed using HOSE algorithm
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Exact Mass 690.289574831 u
Formula C33H54O8Si4
InChI InChI=1S/C33H54O8Si4/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)36-24-18-19-25-26(34)21-27(37-28(25)20-24)23-16-14-13-15-17-23/h13-20,27,29-33H,21-22H2,1-12H3/t27?,29-,30-,31+,32-,33-/m1/s1
InChIKey XEWTUVRAJKHEHY-OKNHDAMZSA-N
Molecular Weight 691.127 g/mol
SMILES C1(CC(=O)C2=CC=C(C=C2O1)O[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])C1=CC=CC=C1