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2-[(E)-4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms

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2-[(E)-4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms
SpectraBase Compound ID 6rNDusUlsgk
InChI InChI=1S/C34H74O8Si5/c1-25-22-27(39-44(8,9)10)23-33(3,4)34(25,35)21-20-26(2)37-32-31(42-47(17,18)19)30(41-46(14,15)16)29(40-45(11,12)13)28(38-32)24-36-43(5,6)7/h20-21,25-32,35H,22-24H2,1-19H3/b21-20+
InChIKey GWIUGXZUHLBUIS-QZQOTICOSA-N
Mol Weight 751.4 g/mol
Molecular Formula C34H74O8Si5
Exact Mass 750.423002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qOqRI23y9i
Name 2-[(E)-4-(1,4-Dihydroxy-2,2,6-trimethylcyclohexyl)but-3-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, 5tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 750.423002010 u
Formula C34H74O8Si5
InChI InChI=1S/C34H74O8Si5/c1-25-22-27(39-44(8,9)10)23-33(3,4)34(25,35)21-20-26(2)37-32-31(42-47(17,18)19)30(41-46(14,15)16)29(40-45(11,12)13)28(38-32)24-36-43(5,6)7/h20-21,25-32,35H,22-24H2,1-19H3/b21-20+
InChIKey GWIUGXZUHLBUIS-QZQOTICOSA-N
Molecular Weight 751.383 g/mol
SMILES C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)OC(C)\C=C\C1(C(CC(CC1C)O[Si](C)(C)C)(C)C)O