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Amorfrutin C, 2tms

View entire compound with spectra: 1 NMR

Amorfrutin C, 2tms
SpectraBase Compound ID 5c5rBr2l84N
InChI InChI=1S/C32H48O4Si2/c1-23(2)17-20-27-26(22-19-25-15-13-12-14-16-25)29(32(33)36-38(9,10)11)31(35-37(6,7)8)28(30(27)34-5)21-18-24(3)4/h12-18H,19-22H2,1-11H3
InChIKey WZFYYYDENVHTFF-UHFFFAOYSA-N
Mol Weight 552.9 g/mol
Molecular Formula C32H48O4Si2
Exact Mass 552.309113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dN7iecRiJr
Name Amorfrutin C, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 552.309113092 u
Formula C32H48O4Si2
InChI InChI=1S/C32H48O4Si2/c1-23(2)17-20-27-26(22-19-25-15-13-12-14-16-25)29(32(33)36-38(9,10)11)31(35-37(6,7)8)28(30(27)34-5)21-18-24(3)4/h12-18H,19-22H2,1-11H3
InChIKey WZFYYYDENVHTFF-UHFFFAOYSA-N
Molecular Weight 552.902 g/mol
SMILES C[Si](OC1=C(C(OC)=C(CC=C(C)C)C(CCC2=CC=CC=C2)=C1C(O[Si](C)(C)C)=O)CC=C(C)C)(C)C