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2-Cyclohexen-1-one, 4-[( .beta.-D-glucopyranosyloxy)methyl]-3,5,5-trimethyl-, tetraacetate

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2-Cyclohexen-1-one, 4-[( .beta.-D-glucopyranosyloxy)methyl]-3,5,5-trimethyl-, tetraacetate
SpectraBase Compound ID HTGrhShW4XS
InChI InChI=1S/C24H34O11/c1-12-8-17(29)9-24(6,7)18(12)10-31-23-22(34-16(5)28)21(33-15(4)27)20(32-14(3)26)19(35-23)11-30-13(2)25/h8,18-23H,9-11H2,1-7H3/t18?,19-,20-,21+,22-,23-/m1/s1
InChIKey CUHXZVYBUBMBJD-QGFPMTTESA-N
Mol Weight 498.5 g/mol
Molecular Formula C24H34O11
Exact Mass 498.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3l4StRFGuxf
Name 2-Cyclohexen-1-one, 4-[( .beta.-D-glucopyranosyloxy)methyl]-3,5,5-trimethyl-, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 498.210111904 u
Formula C24H34O11
InChI InChI=1S/C24H34O11/c1-12-8-17(29)9-24(6,7)18(12)10-31-23-22(34-16(5)28)21(33-15(4)27)20(32-14(3)26)19(35-23)11-30-13(2)25/h8,18-23H,9-11H2,1-7H3/t18?,19-,20-,21+,22-,23-/m1/s1
InChIKey CUHXZVYBUBMBJD-QGFPMTTESA-N
Molecular Weight 498.525 g/mol
SMILES [C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OCC1C(C)=CC(=O)CC1(C)C)[H]