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(3S,4R)-3-hydroxy-3-vanillyl-4-veratryl-tetrahydrofuran-2-one
SpectraBase Compound ID 8iJR3EwOEwS
InChI InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21+/m1/s1
InChIKey YFVZKLQNMNKWSB-VFNWGFHPSA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94ikSiNrWGl
Name (3S,4R)-3-hydroxy-3-vanillyl-4-veratryl-tetrahydrofuran-2-one
Alternate Name(s) (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-oxolanone (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one (3S,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]-3-oxidanyl-oxolan-2-one
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Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21+/m1/s1
InChIKey YFVZKLQNMNKWSB-VFNWGFHPSA-N
Molecular Weight 388.416 g/mol
SMILES Oc1c(cc(C[C@]2(C(OC[C@]2(Cc2cc(OC)c(cc2)OC)[H])=O)O)cc1)OC
SPLASH splash10-000i-0900000000-0db184f31ec39510eef8
Source of Spectrum J-61-6928-1
Wiley ID 1363802