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(+/-)-trans-dehydrodiferulate dimethyl ester
SpectraBase Compound ID 4gqbQR3sSPz
InChI InChI=1S/C22H22O8/c1-26-16-11-13(6-7-15(16)23)20-19(22(25)29-4)14-9-12(5-8-18(24)28-3)10-17(27-2)21(14)30-20/h5-11,19-20,23H,1-4H3/t19-,20+/m1/s1
InChIKey TUMXSJCAHHPAFR-UXHICEINSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yk9GWRzfwC
Name (+/-)-trans-dehydrodiferulate dimethyl ester
Alternate Name(s) Methyl (2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxoprop-1-en-1-yl)-2,3-dihydrobenzofuran-3-carboxylate
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-26-16-11-13(6-7-15(16)23)20-19(22(25)29-4)14-9-12(5-8-18(24)28-3)10-17(27-2)21(14)30-20/h5-11,19-20,23H,1-4H3/t19-,20+/m1/s1
InChIKey TUMXSJCAHHPAFR-UXHICEINSA-N
Literature Reference DOI 10.1002/cbdv.201800134
Molecular Weight 414.410 g/mol
SMILES Oc1c(cc(cc1)[C@]1([C@@](c2c(O1)c(cc(c2)C=CC(OC)=O)OC)(C(OC)=O)[H])[H])OC
SPLASH splash10-0ik9-5779300000-f50325da46f762002a1d
Source of Spectrum CBD-15-SM8-2
Wiley ID 1812595