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(3R,4R)-3-[(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)methyl]-4-veratryl-tetrahydrofuran-2-one
SpectraBase Compound ID 8xSMio1PS3P
InChI InChI=1S/C20H22O6/c1-24-17-4-3-13(10-18(17)25-2)9-14-12-26-19(22)16(14)11-20(23)7-5-15(21)6-8-20/h3-8,10,14,16,23H,9,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKey NKEBMJBUHRZZQQ-GOEBONIOSA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBh1oOOgG66
Name (3R,4R)-3-[(1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)methyl]-4-veratryl-tetrahydrofuran-2-one
Alternate Name(s) (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)methyl]-2-oxolanone (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)methyl]tetrahydrofuran-2-one (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)methyl]oxolan-2-one (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl)methyl]oxolan-2-one
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Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-24-17-4-3-13(10-18(17)25-2)9-14-12-26-19(22)16(14)11-20(23)7-5-15(21)6-8-20/h3-8,10,14,16,23H,9,11-12H2,1-2H3/t14-,16+/m0/s1
InChIKey NKEBMJBUHRZZQQ-GOEBONIOSA-N
Molecular Weight 358.390 g/mol
SMILES OC1(C[C@]2(C(OC[C@@]2(Cc2cc(OC)c(cc2)OC)[H])=O)[H])C=CC(C=C1)=O
SPLASH splash10-0udi-0900000000-447faff73cd6082ec2f0
Source of Spectrum F-52-1330-26
Wiley ID 794855