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.beta.-D-Glucopyranoside, 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]propyl, 6tms derivative

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.beta.-D-Glucopyranoside, 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]propyl, 6tms derivative
SpectraBase Compound ID GmZ5N700HuJ
InChI InChI=1S/C44H82O11Si6/c1-45-36-28-32(23-24-35(36)52-58(9,10)11)39-34(29-48-56(3,4)5)33-26-31(27-37(46-2)40(33)51-39)22-21-25-47-44-43(55-61(18,19)20)42(54-60(15,16)17)41(53-59(12,13)14)38(50-44)30-49-57(6,7)8/h23-24,26-28,34,38-39,41-44H,21-22,25,29-30H2,1-20H3/t34?,38-,39?,41-,42+,43-,44-/m1/s1
InChIKey VHBYHQSAQZJIEZ-LCLTUGFUSA-N
Mol Weight 955.6 g/mol
Molecular Formula C44H82O11Si6
Exact Mass 954.447273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87TIK7a1S5i
Name .beta.-D-Glucopyranoside, 3-[2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl]propyl, 6tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 954.447272659 u
Formula C44H82O11Si6
InChI InChI=1S/C44H82O11Si6/c1-45-36-28-32(23-24-35(36)52-58(9,10)11)39-34(29-48-56(3,4)5)33-26-31(27-37(46-2)40(33)51-39)22-21-25-47-44-43(55-61(18,19)20)42(54-60(15,16)17)41(53-59(12,13)14)38(50-44)30-49-57(6,7)8/h23-24,26-28,34,38-39,41-44H,21-22,25,29-30H2,1-20H3/t34?,38-,39?,41-,42+,43-,44-/m1/s1
InChIKey VHBYHQSAQZJIEZ-LCLTUGFUSA-N
Molecular Weight 955.639 g/mol
SMILES [C@@]1(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])(OCCCC1=CC(=C2OC(C(C2=C1)CO[Si](C)(C)C)C1=CC(=C(C=C1)O[Si](C)(C)C)OC)OC)[H]