For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

beta.-D-Glucopyranosyl, (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate, 5tms derivative

View entire compound with spectra: 1 NMR

beta.-D-Glucopyranosyl, (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate, 5tms derivative
SpectraBase Compound ID EGZOwRgJHYK
InChI InChI=1S/C31H66O8Si5/c1-24(21-22-33-40(3,4)5)19-18-20-25(2)30(32)36-31-29(39-44(15,16)17)28(38-43(12,13)14)27(37-42(9,10)11)26(35-31)23-34-41(6,7)8/h20-21,26-29,31H,18-19,22-23H2,1-17H3/b24-21+,25-20+/t26-,27-,28+,29-,31+/m1/s1
InChIKey NWPWXLYKTJFMFS-BALVRBAYSA-N
Mol Weight 707.3 g/mol
Molecular Formula C31H66O8Si5
Exact Mass 706.360402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID K2z62pY7i5Y
Name beta.-D-Glucopyranosyl, (2E,6E)-8-hydroxy-2,6-dimethylocta-2,6-dienoate, 5tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 706.360401752 u
Formula C31H66O8Si5
InChI InChI=1S/C31H66O8Si5/c1-24(21-22-33-40(3,4)5)19-18-20-25(2)30(32)36-31-29(39-44(15,16)17)28(38-43(12,13)14)27(37-42(9,10)11)26(35-31)23-34-41(6,7)8/h20-21,26-29,31H,18-19,22-23H2,1-17H3/b24-21+,25-20+/t26-,27-,28+,29-,31+/m1/s1
InChIKey NWPWXLYKTJFMFS-BALVRBAYSA-N
SMILES C(\C=C\(C(O[C@]1([C@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@](O[Si](C)(C)C)([C@](O1)(CO[Si](C)(C)C)[H])[H])[H])[H])[H])=O)C)C\C(=C\CO[Si](C)(C)C)C