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(1R,2S,5R,6R)-6-(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-2-(4"-hydroxy-3",5"-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
SpectraBase Compound ID HhfGe2NKQw8
InChI InChI=1S/C23H28O7/c1-5-12-6-13(7-17(26-2)20(12)24)22-15-10-30-23(16(15)11-29-22)14-8-18(27-3)21(25)19(9-14)28-4/h6-9,15-16,22-25H,5,10-11H2,1-4H3/t15-,16-,22-,23+/m0/s1
InChIKey PSRAAQPZJUWNFK-PCNTZYQVSA-N
Mol Weight 416.47 g/mol
Molecular Formula C23H28O7
Exact Mass 416.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oCNJAALUdp
Name (1R,2S,5R,6R)-6-(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-2-(4"-hydroxy-3",5"-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
Alternate Name(s) (1R,2S,5R,6R)-6-(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-2-(4''-hydroxy-3'',5''-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane 4-[(1S,3aR,4R,6aR)-4-(3-ethyl-4-hydroxy-5-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenol 6-(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-2-(4''-hydroxy-3'',5''-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane 6-(3'-Ethyl-4'-hydroxy-5'-methoxyphenyl)-2-(4''-hydroxy-3'',5''-dimethoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
Comments Less than 3 mono-isotopic peaks
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Formula C23H28O7
InChI InChI=1S/C23H28O7/c1-5-12-6-13(7-17(26-2)20(12)24)22-15-10-30-23(16(15)11-29-22)14-8-18(27-3)21(25)19(9-14)28-4/h6-9,15-16,22-25H,5,10-11H2,1-4H3/t15-,16-,22-,23+/m0/s1
InChIKey PSRAAQPZJUWNFK-PCNTZYQVSA-N
Molecular Weight 416.470 g/mol
SMILES Oc1c(cc([C@]2([C@@]3([C@@]([C@@](c4cc(c(c(c4)OC)O)OC)(OC3)[H])(CO2)[H])[H])[H])cc1CC)OC
SPLASH splash10-014i-0004900000-6b44301fb13df2655a0a
Source of Spectrum H-84-161-2
Wiley ID 847444