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3-[6-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid, 5tms

View entire compound with spectra: 1 NMR

3-[6-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid, 5tms
SpectraBase Compound ID D4KYEpYjHjh
InChI InChI=1S/C33H62O10Si5/c1-35-25-21-26-24(19-20-36-26)29(23(25)17-18-28(34)40-45(5,6)7)39-33-32(43-48(14,15)16)31(42-47(11,12)13)30(41-46(8,9)10)27(38-33)22-37-44(2,3)4/h19-21,27,30-33H,17-18,22H2,1-16H3/t27-,30-,31+,32-,33+/m1/s1
InChIKey YZPKZGYDSLETLD-XITZMZQWSA-N
Mol Weight 759.3 g/mol
Molecular Formula C33H62O10Si5
Exact Mass 758.318931 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LiKK1KxjrJj
Name 3-[6-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]propanoic acid, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 758.318930861 u
Formula C33H62O10Si5
InChI InChI=1S/C33H62O10Si5/c1-35-25-21-26-24(19-20-36-26)29(23(25)17-18-28(34)40-45(5,6)7)39-33-32(43-48(14,15)16)31(42-47(11,12)13)30(41-46(8,9)10)27(38-33)22-37-44(2,3)4/h19-21,27,30-33H,17-18,22H2,1-16H3/t27-,30-,31+,32-,33+/m1/s1
InChIKey YZPKZGYDSLETLD-XITZMZQWSA-N
Molecular Weight 759.274 g/mol
SMILES [C@]1(OC2=C(C(OC)=CC=3OC=CC23)CCC(O[Si](C)(C)C)=O)(O[C@@]([C@]([C@@]([C@]1(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])(CO[Si](C)(C)C)[H])[H]