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4'-o-Methylsigmoidin, 3tms derivative

View entire compound with spectra: 1 NMR

4'-o-Methylsigmoidin, 3tms derivative
SpectraBase Compound ID LHCd6mu8Grn
InChI InChI=1S/C30H46O6Si3/c1-20(2)13-14-21-15-22(16-28(32-3)30(21)36-39(10,11)12)25-19-24(31)29-26(33-25)17-23(34-37(4,5)6)18-27(29)35-38(7,8)9/h13,15-18,25H,14,19H2,1-12H3
InChIKey ZUHKNGWBHDZJBN-UHFFFAOYSA-N
Mol Weight 586.9 g/mol
Molecular Formula C30H46O6Si3
Exact Mass 586.260219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jdvHHjQeDw
Name 4'-o-Methylsigmoidin, 3tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 586.260218800 u
Formula C30H46O6Si3
InChI InChI=1S/C30H46O6Si3/c1-20(2)13-14-21-15-22(16-28(32-3)30(21)36-39(10,11)12)25-19-24(31)29-26(33-25)17-23(34-37(4,5)6)18-27(29)35-38(7,8)9/h13,15-18,25H,14,19H2,1-12H3
InChIKey ZUHKNGWBHDZJBN-UHFFFAOYSA-N
Molecular Weight 586.947 g/mol
SMILES C1(O[Si](C)(C)C)=C(C=C(C2OC3=CC(=CC(=C3C(C2)=O)O[Si](C)(C)C)O[Si](C)(C)C)C=C1OC)CC=C(C)C