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2-Propenal, 3-[4-(.beta.-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2E)-, 4tms

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2-Propenal, 3-[4-(.beta.-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2E)-, 4tms
SpectraBase Compound ID 3wDE5EpblOX
InChI InChI=1S/C29H54O9Si4/c1-31-22-18-21(16-15-17-30)19-23(32-2)25(22)35-29-28(38-42(12,13)14)27(37-41(9,10)11)26(36-40(6,7)8)24(34-29)20-33-39(3,4)5/h15-19,24,26-29H,20H2,1-14H3/b16-15+/t24-,26-,27+,28-,29+/m1/s1
InChIKey IHUWDSQTRYSUHV-QGHUSTAZSA-N
Mol Weight 659.1 g/mol
Molecular Formula C29H54O9Si4
Exact Mass 658.284489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Ipc9JedLvg
Name 2-Propenal, 3-[4-(.beta.-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (2E)-, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 658.284489450 u
Formula C29H54O9Si4
InChI InChI=1S/C29H54O9Si4/c1-31-22-18-21(16-15-17-30)19-23(32-2)25(22)35-29-28(38-42(12,13)14)27(37-41(9,10)11)26(36-40(6,7)8)24(34-29)20-33-39(3,4)5/h15-19,24,26-29H,20H2,1-14H3/b16-15+/t24-,26-,27+,28-,29+/m1/s1
InChIKey IHUWDSQTRYSUHV-QGHUSTAZSA-N
SMILES C[Si](OC[C@]1(O[C@@](OC2=C(OC)C=C(\C=C\C=O)C=C2OC)([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H])(C)C