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Magnolioside, 4tms
SpectraBase Compound ID 7wQv8Gpk8TO
InChI InChI=1S/C28H50O9Si4/c1-30-21-17-20-19(14-15-24(29)32-20)16-22(21)33-28-27(37-41(11,12)13)26(36-40(8,9)10)25(35-39(5,6)7)23(34-28)18-31-38(2,3)4/h14-17,23,25-28H,18H2,1-13H3/t23-,25-,26+,27-,28-/m1/s1
InChIKey BKCPEOQLZAGIIL-TWHDSSIESA-N
Mol Weight 643.0 g/mol
Molecular Formula C28H50O9Si4
Exact Mass 642.253189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FUNiCNbXxfF
Name Magnolioside, 4tms
Comments Computed using HOSE algorithm
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Exact Mass 642.253189321 u
Formula C28H50O9Si4
InChI InChI=1S/C28H50O9Si4/c1-30-21-17-20-19(14-15-24(29)32-20)16-22(21)33-28-27(37-41(11,12)13)26(36-40(8,9)10)25(35-39(5,6)7)23(34-28)18-31-38(2,3)4/h14-17,23,25-28H,18H2,1-13H3/t23-,25-,26+,27-,28-/m1/s1
InChIKey BKCPEOQLZAGIIL-TWHDSSIESA-N
Molecular Weight 643.039 g/mol
SMILES [C@@]1(OC2=C(C=C3C(=C2)C=CC(O3)=O)OC)([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]