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(2R,4S,5R)-2-((2,2,2-trifluoroacetoxy)methyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2R,4S,5R)-2-((2,2,2-trifluoroacetoxy)methyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID DG0ipThkf96
InChI InChI=1S/C27H28F12O11/c1-10-7-12(40)8-23(3,4)13(10)6-5-11(2)46-18-17(50-22(44)27(37,38)39)16(49-21(43)26(34,35)36)15(48-20(42)25(31,32)33)14(47-18)9-45-19(41)24(28,29)30/h7,11,13-18H,5-6,8-9H2,1-4H3
InChIKey HLYWXQNKAQPWMD-UHFFFAOYSA-N
Mol Weight 756.49 g/mol
Molecular Formula C27H28F12O11
Exact Mass 756.144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6znMr2f0wO3
Name (2R,4S,5R)-2-((2,2,2-Trifluoroacetoxy)methyl)-6-((4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)butan-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 756.143999667 u
Formula C27H28F12O11
InChI InChI=1S/C27H28F12O11/c1-10-7-12(40)8-23(3,4)13(10)6-5-11(2)46-18-17(50-22(44)27(37,38)39)16(49-21(43)26(34,35)36)15(48-20(42)25(31,32)33)14(47-18)9-45-19(41)24(28,29)30/h7,11,13-18H,5-6,8-9H2,1-4H3
InChIKey HLYWXQNKAQPWMD-UHFFFAOYSA-N
Molecular Weight 756.491 g/mol
SMILES C1(C(C(C(C(O1)OC(C)CCC1C(CC(C=C1C)=O)(C)C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)COC(C(F)(F)F)=O