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Chemical structure of 8-O-4,8-O-4-Dehydrotriferulic acid

GC71932

8-O-4,8-O-4-Dehydrotriferulic acid

Also known as (Z)-2-[4-[(Z)-2-carboxy-2-[4-[(E)-2-carboxyethenyl]-2-methoxyphenoxy]ethenyl]-2-methoxyphenoxy]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

8-O-4,8-O-4-Dehydrotriferulic acid is a dehydrotriferulic acid that can be isolated from saponified corn bran insoluble fiber

ChemicalCAS848649-28-5MW578.52FormulaC30H26O12
CAS number
848649-28-5
Molecular weight
578.52
Formula
C30H26O12
InChIKey
UWXGIJKBCAIMFK-XVAVVJJYSA-N
Catalogue number
GC71932
Brand
GLPBIO
Computed properties PubChem CID 21580474 · XLogP 4.8 · TPSA 178 Ų · H-bond donors 4
XLogP
4.8
TPSA
178 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
42

SMILES COC1=C(C=CC(=C1)/C=C/C(=O)O)O/C(=C\C2=CC(=C(C=C2)O/C(=C\C3=CC(=C(C=C3)O)OC)/C(=O)O)OC)/C(=O)O

Computed descriptors from PubChem (CID 21580474), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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