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Methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, 4tms

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Methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, 4tms
SpectraBase Compound ID 3XdyZCZccSv
InChI InChI=1S/C29H56O10Si4/c1-15-20-21(16-17-30)22(27(31)32-2)18-33-28(20)36-29-26(39-43(12,13)14)25(38-42(9,10)11)24(37-41(6,7)8)23(35-29)19-34-40(3,4)5/h15,17-18,20-21,23-26,28-29H,1,16,19H2,2-14H3
InChIKey GQHLWOUOUJDWHE-UHFFFAOYSA-N
Mol Weight 677.1 g/mol
Molecular Formula C29H56O10Si4
Exact Mass 676.295054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7reHkaFvDvK
Name Methyl 3-ethenyl-4-(2-oxoethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 676.295054133 u
Formula C29H56O10Si4
InChI InChI=1S/C29H56O10Si4/c1-15-20-21(16-17-30)22(27(31)32-2)18-33-28(20)36-29-26(39-43(12,13)14)25(38-42(9,10)11)24(37-41(6,7)8)23(35-29)19-34-40(3,4)5/h15,17-18,20-21,23-26,28-29H,1,16,19H2,2-14H3
InChIKey GQHLWOUOUJDWHE-UHFFFAOYSA-N
Molecular Weight 677.097 g/mol
SMILES C(CC1C(C(OC)=O)=COC(C1C=C)OC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)=O