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1-Ethenylhexyl .beta.-D-glucopyranoside, 4ac derivative

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1-Ethenylhexyl .beta.-D-glucopyranoside, 4ac derivative
SpectraBase Compound ID B14uAVeB1Z2
InChI InChI=1S/C22H34O10/c1-7-9-10-11-17(8-2)31-22-21(30-16(6)26)20(29-15(5)25)19(28-14(4)24)18(32-22)12-27-13(3)23/h8,17-22H,2,7,9-12H2,1,3-6H3/t17?,18-,19-,20+,21-,22-/m1/s1
InChIKey FOLUMPMPSKBEDZ-XKYVVYCSSA-N
Mol Weight 458.5 g/mol
Molecular Formula C22H34O10
Exact Mass 458.215197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5O1qkLi9vQp
Name 1-Ethenylhexyl .beta.-D-glucopyranoside, 4ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.215197285 u
Formula C22H34O10
InChI InChI=1S/C22H34O10/c1-7-9-10-11-17(8-2)31-22-21(30-16(6)26)20(29-15(5)25)19(28-14(4)24)18(32-22)12-27-13(3)23/h8,17-22H,2,7,9-12H2,1,3-6H3/t17?,18-,19-,20+,21-,22-/m1/s1
InChIKey FOLUMPMPSKBEDZ-XKYVVYCSSA-N
Molecular Weight 458.504 g/mol
SMILES [C@@]1(OC(CCCCC)C=C)([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(C)=O)([C@](O1)(COC(C)=O)[H])[H])[H])[H])[H]