(3R,4R)-3-[[4-keto-1-(2,2,2-trifluoroethoxy)cyclohexa-2,5-dien-1-yl]methyl]-4-veratryl-tetrahydrofuran-2-one

SpectraBase Compound ID	EjmnxjqnV5K
InChI	InChI=1S/C22H23F3O6/c1-28-18-4-3-14(10-19(18)29-2)9-15-12-30-20(27)17(15)11-21(31-13-22(23,24)25)7-5-16(26)6-8-21/h3-8,10,15,17H,9,11-13H2,1-2H3/t15-,17+/m0/s1
InChIKey	SHKNZRROYNXDCE-DOTOQJQBSA-N Google Search
Mol Weight	440.42 g/mol
Molecular Formula	C22H23F3O6
Exact Mass	440.144673 g/mol

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SpectraBase Spectrum ID	CIBXwObLrKS
Name	(3R,4R)-3-[[4-keto-1-(2,2,2-trifluoroethoxy)cyclohexa-2,5-dien-1-yl]methyl]-4-veratryl-tetrahydrofuran-2-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H23F3O6
InChI	InChI=1S/C22H23F3O6/c1-28-18-4-3-14(10-19(18)29-2)9-15-12-30-20(27)17(15)11-21(31-13-22(23,24)25)7-5-16(26)6-8-21/h3-8,10,15,17H,9,11-13H2,1-2H3/t15-,17+/m0/s1
InChIKey	SHKNZRROYNXDCE-DOTOQJQBSA-N
Molecular Weight	440.415 g/mol
SMILES	C1([C@@]([C@@](Cc2cc(OC)c(cc2)OC)(CO1)[H])(CC1(C=CC(C=C1)=O)OCC(F)(F)F)[H])=O
SPLASH	splash10-0udi-0900100000-d05d45586b745aae2397
Source of Spectrum	F-52-1331-32
Synonyms	(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-oxidanylidene-1-[2,2,2-tris(fluoranyl)ethoxy]cyclohexa-2,5-dien-1-yl]methyl]oxolan-2-one (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-oxo-1-(2,2,2-trifluoroethoxy)-1-cyclohexa-2,5-dienyl]methyl]-2-oxolanone (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-oxo-1-(2,2,2-trifluoroethoxy)cyclohexa-2,5-dien-1-yl]methyl]oxolan-2-one (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[4-oxo-1-(2,2,2-trifluoroethoxy)cyclohexa-2,5-dien-1-yl]methyl]tetrahydrofuran-2-one
Wiley ID	794854