Decarboxylated 8,5'-diferulic acid

Decarboxylated 8,5'-diferulic acid
Names
	Preferred IUPAC name (2E)-3-{4-Hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethen-1-yl]-5-methoxyphenyl}prop-2-enoic acid
	Other names 8,5'-DiFA (DC); 8,5'-diFA (decarboxylated form); Poacic acid
Identifiers
CAS Number	160097-32-5 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:156511;
ChEMBL	ChEMBL4218130;
ChemSpider	8512879;
PubChem CID	10337420;
CompTox Dashboard (EPA)	DTXSID901045391 ;
	InChI InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ Key: SLIMCXCSQXYCGL-JENUQAQBSA-N; InChI=1/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ Key: SLIMCXCSQXYCGL-JENUQAQBBX;
	SMILES Oc2c(OC)cc(\C=C\C(O)=O)cc2\C=C\c(cc1OC)ccc1O;
Properties
Chemical formula	C19H18O6
Molar mass	342.347 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Decarboxylated 8,5'-diferulic acid is a molecule included in the group but is not a true diferulic acid. It is found in maize bran.^[1]

References

^ Bunzel, M; Funk, C; Steinhart, H (2004). "Semipreparative isolation of dehydrodiferulic and dehydrotriferulic acids as standard substances from maize bran". Journal of Separation Science. 27 (13): 1080–6. doi:10.1002/jssc.200301703. PMID 15495409.

Names

Preferred IUPAC name (2E)-3-{4-Hydroxy-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethen-1-yl]-5-methoxyphenyl}prop-2-enoic acid
Other names 8,5'-DiFA (DC) 8,5'-diFA (decarboxylated form); Poacic acid
Identifiers
CAS Number	160097-32-5^N
3D model (JSmol)	Interactive image
ChEBI	CHEBI:156511
ChEMBL	ChEMBL4218130
ChemSpider	8512879
PubChem CID	10337420
CompTox Dashboard (EPA)	DTXSID901045391
InChI InChI=1S/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ Key: SLIMCXCSQXYCGL-JENUQAQBSA-N InChI=1/C19H18O6/c1-24-16-10-12(4-7-15(16)20)3-6-14-9-13(5-8-18(21)22)11-17(25-2)19(14)23/h3-11,20,23H,1-2H3,(H,21,22)/b6-3+,8-5+ Key: SLIMCXCSQXYCGL-JENUQAQBBX
SMILES Oc2c(OC)cc(\C=C\C(O)=O)cc2\C=C\c(cc1OC)ccc1O
Properties
Chemical formula	C₁₉H₁₈O₆
Molar mass	342.347 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references