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TRANS-DOCOSANOYLFERULATE
SpectraBase Compound ID 6RvYkyP67Do
InChI InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3/b26-24+
InChIKey USNYNNITUQSEEV-SHHOIMCASA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85VMZ1aWh64
Name Docosyl trans-ferulate
Alternate Name(s) (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid docosyl ester Docosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Docosyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate Docosyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
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Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-36-32(34)26-24-29-23-25-30(33)31(28-29)35-2/h23-26,28,33H,3-22,27H2,1-2H3/b26-24+
InChIKey USNYNNITUQSEEV-SHHOIMCASA-N
Molecular Weight 502.780 g/mol
SMILES Oc1ccc(cc1OC)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0udl-0800090000-e650d169d83ec3d0cd5b
Source of Spectrum QA-46-822-4
Wiley ID 863220