bmse010345 lignin_cw_compound

lignin_cw_compound_3020

3-(4-{1-(3,4-dimethoxyphenyl)-3-hydroxy-2[4-(2-methoxy- carbonylvinyl)phenoxy]propoxy}phenyl)acrylic acid methyl ester

Molecular Formula: C31 H32 O9
Natural Isotopic Abundance Mass: 548.58038
Mono-Isotopic Molecular Masses: C12N14: 548.2046326261; C13N14: 579.3086325979; C12N15: 548.2046326261; C13N15: 579.3086325979

lignin_cw_compound_3020

InCHi String:
InChI=1/C31H32O9/c1-35-26-16-11-23(19-27(26)36-2)31(40-25-14-7-22(8-15-25)10-18-30(34)38-4)28(20-32)39-24-12-5-21(6-13-24)9-17-29(33)37-3/h5-19,28,31-32H,20H2,1-4H3/b17-9+,18-10+

Canonical and Isomeric SMILES:
COC1=C(C=C(C=C1)C(C(CO)OC2=CC=C(C=C2)C=CC(=O)OC)OC3=CC=C(C=C3)C=CC(=O)OC)OC

Beilstein
To be defined

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 3020
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.