bmse010290 lignin_cw_compound

lignin_cw_compound_2008
bmse010290 - data

lignin_cw_compound_2008

dilactone from ferulic acid; 3,6-Bis-(4-hydroxy-3-methoxyphenyl) tetrahydrofuro [3,4-c] furan-1,4-dione

Molecular Formula: C20 H18 O8
Natural Isotopic Abundance Mass: 386.35212
Mono-Isotopic Molecular Masses: C12N14: 386.1001675546; C13N14: 406.1672643106; C12N15: 386.1001675546; C13N15: 406.1672643106

lignin_cw_compound_2008

InCHi String:
InChI=1/C20H18O8/c1-25-13-7-9(3-5-11(13)21)17-15-16(20(24)27-17)18(28-19(15)23)10-4-6-12(22)14(8-10)26-2/h3-8,15-18,21-22H,1-2H3

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C4C3C(C(C2=CC(=C(C=C2)O)OC)OC3=O)C(=O)O4)O

Beilstein
dilactone from ferulic acid

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 2008
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.