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2-(4-(4-(Hydroxy(4-hydroxy-3-methoxyphenyl)methyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 7tms derivative

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2-(4-(4-(Hydroxy(4-hydroxy-3-methoxyphenyl)methyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 7tms derivative
SpectraBase Compound ID 5LLp5itv2e1
InChI InChI=1S/C47H90O12Si7/c1-48-39-28-33(42-36(31-51-60(3,4)5)35(30-50-42)43(56-63(12,13)14)34-25-27-38(40(29-34)49-2)55-62(9,10)11)24-26-37(39)53-47-46(59-66(21,22)23)45(58-65(18,19)20)44(57-64(15,16)17)41(54-47)32-52-61(6,7)8/h24-29,35-36,41-47H,30-32H2,1-23H3
InChIKey RZVDRNBRKFNXMG-UHFFFAOYSA-N
Mol Weight 1043.8 g/mol
Molecular Formula C47H90O12Si7
Exact Mass 1042.481714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5OkFEntgQV
Name 2-(4-(4-(Hydroxy(4-hydroxy-3-methoxyphenyl)methyl)-3-(hydroxymethyl)tetrahydrofuran-2-yl)-2-methoxyphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 7tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 1042.481714071 u
Formula C47H90O12Si7
InChI InChI=1S/C47H90O12Si7/c1-48-39-28-33(42-36(31-51-60(3,4)5)35(30-50-42)43(56-63(12,13)14)34-25-27-38(40(29-34)49-2)55-62(9,10)11)24-26-37(39)53-47-46(59-66(21,22)23)45(58-65(18,19)20)44(57-64(15,16)17)41(54-47)32-52-61(6,7)8/h24-29,35-36,41-47H,30-32H2,1-23H3
InChIKey RZVDRNBRKFNXMG-UHFFFAOYSA-N
Molecular Weight 1043.820 g/mol
SMILES C1C(C(C(O1)C1=CC=C(C(=C1)OC)OC1OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)CO[Si](C)(C)C)C(O[Si](C)(C)C)C1=CC=C(C(=C1)OC)O[Si](C)(C)C