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2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms derivative

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2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms derivative
SpectraBase Compound ID BRQYzEOSoRk
InChI InChI=1S/C31H64O8Si5/c1-23(27(36-41(6,7)8)24-18-20-25(32-2)21-19-24)34-31-30(39-44(15,16)17)29(38-43(12,13)14)28(37-42(9,10)11)26(35-31)22-33-40(3,4)5/h18-21,23,26-31H,22H2,1-17H3
InChIKey ITMFSNOVNCEGPU-UHFFFAOYSA-N
Mol Weight 705.3 g/mol
Molecular Formula C31H64O8Si5
Exact Mass 704.344752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9INxlc5sVAL
Name 2-[1-Hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 704.344751688 u
Formula C31H64O8Si5
InChI InChI=1S/C31H64O8Si5/c1-23(27(36-41(6,7)8)24-18-20-25(32-2)21-19-24)34-31-30(39-44(15,16)17)29(38-43(12,13)14)28(37-42(9,10)11)26(35-31)22-33-40(3,4)5/h18-21,23,26-31H,22H2,1-17H3
InChIKey ITMFSNOVNCEGPU-UHFFFAOYSA-N
SMILES C1(OC(C(C2=CC=C(C=C2)OC)O[Si](C)(C)C)C)C(C(C(C(O1)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C