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[(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, tms

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[(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, tms
SpectraBase Compound ID 5hm6FDycwwC
InChI InChI=1S/C20H32O6Si/c1-9-13(4)20(23)26-16-10-15(11-24-27(6,7)8)18(22)19(25-14(5)21)17(16)12(2)3/h9-10,12,16-17,19H,11H2,1-8H3/b13-9+/t16-,17-,19+/m0/s1
InChIKey SGMNPSPCPCVBPW-HCWMHUGKSA-N
Mol Weight 396.6 g/mol
Molecular Formula C20H32O6Si
Exact Mass 396.196815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JbgPG1Q1mjC
Name [(1S,5R,6S)-5-Acetyloxy-3-(hydroxymethyl)-4-oxo-6-propan-2-ylcyclohex-2-en-1-yl] (E)-2-methylbut-2-enoate, tms
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.196815279 u
Formula C20H32O6Si
InChI InChI=1S/C20H32O6Si/c1-9-13(4)20(23)26-16-10-15(11-24-27(6,7)8)18(22)19(25-14(5)21)17(16)12(2)3/h9-10,12,16-17,19H,11H2,1-8H3/b13-9+/t16-,17-,19+/m0/s1
InChIKey SGMNPSPCPCVBPW-HCWMHUGKSA-N
Molecular Weight 396.555 g/mol
SMILES [C@]1(C(C(=C[C@@]([C@@]1(C(C)C)[H])(OC(\C(=C\C)C)=O)[H])CO[Si](C)(C)C)=O)(OC(=O)C)[H]