bmse010293 lignin_cw_compound

lignin_cw_compound_2012

Guaiacyl glycerol-B-coniferyl ether peracetate; Acetic acid 4-{1,3-diacetoxy-2-[4-(3-acetoxypropenyl)-2-methoxyphenoxy] propyl}-2-methoxyphenyl ester

Molecular Formula: C28 H32 O11
Natural Isotopic Abundance Mass: 544.54708
Mono-Isotopic Molecular Masses: C12N14: 544.1944618703; C13N14: 572.2883973287; C12N15: 544.1944618703; C13N15: 572.2883973287

lignin_cw_compound_2012

InCHi String:
InChI=1/C28H32O11/c1-17(29)35-13-7-8-21-9-11-24(25(14-21)33-5)39-27(16-36-18(2)30)28(38-20(4)32)22-10-12-23(37-19(3)31)26(15-22)34-6/h7-12,14-15,27-28H,13,16H2,1-6H3/b8-7+

Canonical and Isomeric SMILES:
CC(=O)OCC=CC1=CC(=C(C=C1)OC(COC(C)=O)C(C2=CC(=C(C=C2)OC(C)=O)OC)OC(C)=O)OC

Beilstein
Guaiacyl glycerol-B-coniferyl ether peracetate

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 2012
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.