bmse010347 lignin_cw_compound

lignin_cw_compound_3022

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

Molecular Formula: C31 H32 O10
Natural Isotopic Abundance Mass: 564.57978
Mono-Isotopic Molecular Masses: C12N14: 564.1995472482; C13N14: 595.30354722; C12N15: 564.1995472482; C13N15: 595.30354722

lignin_cw_compound_3022

InCHi String:
InChI=1/C31H32O10/c1-36-26-18-22(10-13-24(26)33)31(40-23-11-5-20(6-12-23)8-15-29(34)38-3)28(19-32)41-25-14-7-21(17-27(25)37-2)9-16-30(35)39-4/h5-18,28,31-33H,19H2,1-4H3/b15-8+,16-9+

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

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 3022
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.