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[(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate, 2tms derivative

View entire compound with spectra: 1 NMR

[(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate, 2tms derivative
SpectraBase Compound ID GUuqRrjmbwv
InChI InChI=1S/C26H44O7Si2/c1-12-18(4)25(28)32-21-15-20(16-31-35(9,10)11)23(27)24(22(21)17(2)3)33-26(29)19(5)13-14-30-34(6,7)8/h12-13,15,17,21-22,24H,14,16H2,1-11H3/b18-12-,19-13+/t21-,22-,24+/m0/s1
InChIKey MXOORGVHNKFORP-XSQQYOGLSA-N
Mol Weight 524.8 g/mol
Molecular Formula C26H44O7Si2
Exact Mass 524.262557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4q2Kq9It3aM
Name [(1R,5S,6S)-3-(Hydroxymethyl)-5-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] (E)-4-hydroxy-2-methylbut-2-enoate, 2tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.262556820 u
Formula C26H44O7Si2
InChI InChI=1S/C26H44O7Si2/c1-12-18(4)25(28)32-21-15-20(16-31-35(9,10)11)23(27)24(22(21)17(2)3)33-26(29)19(5)13-14-30-34(6,7)8/h12-13,15,17,21-22,24H,14,16H2,1-11H3/b18-12-,19-13+/t21-,22-,24+/m0/s1
InChIKey MXOORGVHNKFORP-XSQQYOGLSA-N
Molecular Weight 524.801 g/mol
SMILES C(O[Si](C)(C)C)C=1C(=O)[C@@]([C@@](C(C)C)([C@@](OC(\C(C)=C/C)=O)(C1)[H])[H])(OC(\C(C)=C\CO[Si](C)(C)C)=O)[H]