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

View entire compound with spectra: 1 MS (GC)

(2R,4S,5R)-2-((2,2,2-trifluoroacetoxy)methyl)-6-(((E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
SpectraBase Compound ID LKMdNdRTwlb
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/h5-7,11,13-18H,8-9H2,1-4H3/b6-5+
InChIKey QYINZEXUQZHVQN-AATRIKPKSA-N
Mol Weight 754.47 g/mol
Molecular Formula C27H26F12O11
Exact Mass 754.12835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3derbWzs5iE
Name (2R,4S,5R)-2-((2,2,2-trifluoroacetoxy)methyl)-6-(((E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl tris(2,2,2-trifluoroacetate)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h5-7,11,13-18H,8-9H2,1-4H3/b6-5+
InChIKey QYINZEXUQZHVQN-AATRIKPKSA-N
Literature Reference DOI 10.1016/j.chroma.2013.08.051
Molecular Weight 754.475 g/mol
SMILES C1(C(C(C(C(O1)OC(C)\C=C\C1C(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
SPLASH splash10-0a4i-2901000000-4898d8cf7ac77596559e
Source of Spectrum Kai Cai, et al. Journal of Chromatography A, 10.1016/j.chroma.2013.08.051
Wiley ID 1816191