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Lignin_cw_compound_34
Lignin_cw_compound_34 synonyms
1-(3,4-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy] propane-1,3-diol
Molecular Formula: C20 H26 O7
Natural Isotopic Abundance Mass: 378.41624
Mono-Isotopic Molecular Masses:
- C12N14: 378.1678531893
- C13N14: 398.2349499453
- C12N15: 378.1678531893
- C13N15: 398.2349499453
InChI String: InChI=1/C20H26O7/c1-12(22)13-5-8-16(18(9-13)26-4)27-19(11-21)20(23)14-6-7-15(24-2)17(10-14)25-3/h5-10,12,19-23H,11H2,1-4H3
Canonical and Isomeric SMILES: CC(C1=CC(=C(C=C1)OC(CO)C(C2=CC(=C(C=C2)OC)OC)O)OC)O
Beilstein
1-(3,4-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy] propane-1,3-diol
PubChem Compound (CID): n/a
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
NMR Lignin Database 34
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773