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(3R,4S,6R)-2-((4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)

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

(3R,4S,6R)-2-((4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID FcgMeDwudvj
InChI InChI=1S/C27H26F12O11/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/h11-12,14-18,40H,7-9H2,1-4H3
InChIKey YWLDAUDHTHAWRU-UHFFFAOYSA-N
Mol Weight 754.47 g/mol
Molecular Formula C27H26F12O11
Exact Mass 754.12835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AwqR7qwR32Z
Name (3R,4S,6R)-2-((4-(4-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-yn-2-yl)oxy)-6-((2,2,2-trifluoroacetoxy)methyl)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 754.128349602 u
Formula C27H26F12O11
InChI InChI=1S/C27H26F12O11/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/h11-12,14-18,40H,7-9H2,1-4H3
InChIKey YWLDAUDHTHAWRU-UHFFFAOYSA-N
Molecular Weight 754.475 g/mol
SMILES C1(C(C(C(C(O1)OC(C)C#CC=1C(CC(CC1C)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