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(E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, tetraacetate

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(E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, tetraacetate
SpectraBase Compound ID BJ3nzQxOnhS
InChI InChI=1S/C27H40O11/c1-14-11-20(12-27(7,8)21(14)10-9-15(2)28)37-26-25(36-19(6)32)24(35-18(5)31)23(34-17(4)30)22(38-26)13-33-16(3)29/h9-10,14,20-26H,11-13H2,1-8H3/b10-9+/t14?,20?,21?,22-,23-,24+,25-,26-/m1/s1
InChIKey QESQPZNHSCWYMT-CPVMOWSMSA-N
Mol Weight 540.6 g/mol
Molecular Formula C27H40O11
Exact Mass 540.257062 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K5lDJtMlLb1
Name (E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, tetraacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 540.257062097 u
Formula C27H40O11
InChI InChI=1S/C27H40O11/c1-14-11-20(12-27(7,8)21(14)10-9-15(2)28)37-26-25(36-19(6)32)24(35-18(5)31)23(34-17(4)30)22(38-26)13-33-16(3)29/h9-10,14,20-26H,11-13H2,1-8H3/b10-9+/t14?,20?,21?,22-,23-,24+,25-,26-/m1/s1
InChIKey QESQPZNHSCWYMT-CPVMOWSMSA-N
Molecular Weight 540.606 g/mol
SMILES C(C)(=O)O[C@]1([C@](OC(=O)C)([C@@](COC(=O)C)(O[C@@](OC2CC(C(\C=C\C(C)=O)C(C)C2)(C)C)([C@@]1(OC(C)=O)[H])[H])[H])[H])[H]