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[4-Acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate, 4tms
SpectraBase Compound ID 2dKInfNfTP5
InChI InChI=1S/C29H52O9Si4/c1-21(30)33-27-26(37-41(8,9)10)24(20-32-39(2,3)4)34-29(38-42(11,12)13)28(27)35-25(31)19-16-22-14-17-23(18-15-22)36-40(5,6)7/h14-19,24,26-29H,20H2,1-13H3/b19-16+
InChIKey OHCYEEFXAILKDF-KNTRCKAVSA-N
Mol Weight 657.1 g/mol
Molecular Formula C29H52O9Si4
Exact Mass 656.268839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EflmDCM4Pk5
Name [4-Acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate, 4tms
Comments Computed using HOSE algorithm
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Exact Mass 656.268839385 u
Formula C29H52O9Si4
InChI InChI=1S/C29H52O9Si4/c1-21(30)33-27-26(37-41(8,9)10)24(20-32-39(2,3)4)34-29(38-42(11,12)13)28(27)35-25(31)19-16-22-14-17-23(18-15-22)36-40(5,6)7/h14-19,24,26-29H,20H2,1-13H3/b19-16+
InChIKey OHCYEEFXAILKDF-KNTRCKAVSA-N
SMILES C(\C=C\C1=CC=C(C=C1)O[Si](C)(C)C)(=O)OC1C(OC(CO[Si](C)(C)C)C(C1OC(=O)C)O[Si](C)(C)C)O[Si](C)(C)C