bmse010346 lignin_cw_compound

lignin_cw_compound_3021

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

Molecular Formula: C33 H34 O10
Natural Isotopic Abundance Mass: 590.61706
Mono-Isotopic Molecular Masses: C12N14: 590.2151973124; C13N14: 623.3259069598; C12N15: 590.2151973124; C13N15: 623.3259069598

lignin_cw_compound_3021

InCHi String:
InChI=1/C33H34O10/c1-22(34)41-21-30(42-26-13-6-23(7-14-26)10-18-31(35)39-4)33(25-12-17-28(37-2)29(20-25)38-3)43-27-15-8-24(9-16-27)11-19-32(36)40-5/h6-20,30,33H,21H2,1-5H3/b18-10+,19-11+

Canonical and Isomeric SMILES:
CC(=O)OCC(C(C1=CC(=C(C=C1)OC)OC)OC2=CC=C(C=C2)C=CC(=O)OC)OC3=CC=C(C=C3)C=CC(=O)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 3021
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.