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[4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl]acetic acid, methyl ester
SpectraBase Compound ID 4kR2rKANYu7
InChI InChI=1S/C20H26O8/c1-25-16-10-17(26-2)14(21)9-13(16)20-12(8-19(24)28-4)5-11(6-15(20)22)7-18(23)27-3/h9-12,20-21H,5-8H2,1-4H3
InChIKey WDOSYFBGUSMIEG-UHFFFAOYSA-N
Mol Weight 394.42 g/mol
Molecular Formula C20H26O8
Exact Mass 394.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kVn0UugtUE
Name [4-(5-Hydroxy-2,4-dimethoxyphenyl)-3-methoxycarbonylmethyl-5-oxocyclohexyl]acetic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O8
InChI InChI=1S/C20H26O8/c1-25-16-10-17(26-2)14(21)9-13(16)20-12(8-19(24)28-4)5-11(6-15(20)22)7-18(23)27-3/h9-12,20-21H,5-8H2,1-4H3
InChIKey WDOSYFBGUSMIEG-UHFFFAOYSA-N
Molecular Weight 394.420 g/mol
SMILES Oc1c(cc(c(c1)C1C(CC(CC(=O)OC)CC1=O)CC(=O)OC)OC)OC
SPLASH splash10-0006-9855000000-d7394c51131d4d98bd85
Synonyms 2-[4-(5-hydroxy-2,4-dimethoxy-phenyl)-3-keto-5-(2-keto-2-methoxy-ethyl)cyclohexyl]acetic acid methyl ester 2-[4-(5-hydroxy-2,4-dimethoxyphenyl)-3-(2-methoxy-2-oxoethyl)-5-oxocyclohexyl]acetic acid methyl ester Methyl 2-[4-(2,4-dimethoxy-5-oxidanyl-phenyl)-3-(2-methoxy-2-oxidanylidene-ethyl)-5-oxidanylidene-cyclohexyl]ethanoate Methyl 2-[4-(5-hydroxy-2,4-dimethoxy-phenyl)-3-(2-methoxy-2-oxo-ethyl)-5-oxo-cyclohexyl]acetate
Wiley ID 1480020