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3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one, 4tms

View entire compound with spectra: 1 NMR

3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one, 4tms
SpectraBase Compound ID 3T4l9IpFten
InChI InChI=1S/C39H66O11Si4/c1-41-30-18-16-27(23-32(30)42-2)21-29-28(24-44-38(29)40)20-26-17-19-31(33(22-26)43-3)46-39-37(50-54(13,14)15)36(49-53(10,11)12)35(48-52(7,8)9)34(47-39)25-45-51(4,5)6/h16-19,22-23,28-29,34-37,39H,20-21,24-25H2,1-15H3
InChIKey JCADQDNLVZWDSL-UHFFFAOYSA-N
Mol Weight 823.3 g/mol
Molecular Formula C39H66O11Si4
Exact Mass 822.368219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FChG9s1P64G
Name 3-[(3,4-Dimethoxyphenyl)methyl]-4-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one, 4tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 822.368219074 u
Formula C39H66O11Si4
InChI InChI=1S/C39H66O11Si4/c1-41-30-18-16-27(23-32(30)42-2)21-29-28(24-44-38(29)40)20-26-17-19-31(33(22-26)43-3)46-39-37(50-54(13,14)15)36(49-53(10,11)12)35(48-52(7,8)9)34(47-39)25-45-51(4,5)6/h16-19,22-23,28-29,34-37,39H,20-21,24-25H2,1-15H3
InChIKey JCADQDNLVZWDSL-UHFFFAOYSA-N
Molecular Weight 823.286 g/mol
SMILES C1(OCC(C1CC1=CC(=C(C=C1)OC)OC)CC1=CC(=C(C=C1)OC1OC(CO[Si](C)(C)C)C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)OC)=O