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

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(E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, tetramethyl ether
SpectraBase Compound ID FZwwzmqnYyo
InChI InChI=1S/C23H40O7/c1-14-11-16(12-23(3,4)17(14)10-9-15(2)24)29-22-21(28-8)20(27-7)19(26-6)18(30-22)13-25-5/h9-10,14,16-22H,11-13H2,1-8H3/b10-9+/t14?,16?,17?,18-,19-,20+,21-,22-/m1/s1
InChIKey SIMASGISLAADSC-YAYJHJSASA-N
Mol Weight 428.6 g/mol
Molecular Formula C23H40O7
Exact Mass 428.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8Ft4wAkfK3
Name (E)-4-2,2,6-Trimethyl-4-.beta.-D-glucopyranosyloxycyclohexylbut-3-en-2-one, tetramethyl ether
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.277403621 u
Formula C23H40O7
InChI InChI=1S/C23H40O7/c1-14-11-16(12-23(3,4)17(14)10-9-15(2)24)29-22-21(28-8)20(27-7)19(26-6)18(30-22)13-25-5/h9-10,14,16-22H,11-13H2,1-8H3/b10-9+/t14?,16?,17?,18-,19-,20+,21-,22-/m1/s1
InChIKey SIMASGISLAADSC-YAYJHJSASA-N
Molecular Weight 428.566 g/mol
SMILES COC[C@]1(O[C@@](OC2CC(C)(C)C(C(C)C2)\C=C\C(=O)C)([C@](OC)([C@@](OC)([C@@]1(OC)[H])[H])[H])[H])[H]