bmse010344 lignin_cw_compound

lignin_cw_compound_3019

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

Molecular Formula: C30 H30 O9
Natural Isotopic Abundance Mass: 534.5538
Mono-Isotopic Molecular Masses: C12N14: 534.1889825619; C13N14: 564.2896276959; C12N15: 534.1889825619; C13N15: 564.2896276959

lignin_cw_compound_3019

InCHi String:
InChI=1/C30H30O9/c1-35-26-18-22(10-15-25(26)32)30(39-24-13-6-21(7-14-24)9-17-29(34)37-3)27(19-31)38-23-11-4-20(5-12-23)8-16-28(33)36-2/h4-18,27,30-32H,19H2,1-3H3/b16-8+,17-9+

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C(C(CO)OC2=CC=C(C=C2)C=CC(=O)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 3019
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.