bmse010377 buddlenol E at BMRB

buddlenol E

buddlenol E; G-(8-O-4)-S-(8-8)-G; 1-(4-Hydroxy-3-methoxy-phenyl)-2-{4-[4-(4hydroxy-3-methoxy-phenyl)-tetrahydrO-furo[3,4-c]furan-1-yl]-2,6-dimethoxy-phenoxy}-propane-1,3-diol

Molecular Formula: C31 H36 O11
Natural Isotopic Abundance Mass: 584.61094
Mono-Isotopic Molecular Masses: C12N14: 584.2257619987; C13N14: 615.3297619705; C12N15: 584.2257619987; C13N15: 615.3297619705

buddlenol E

InCHi String:
InChI=1/C31H36O11/c1-36-23-9-16(5-7-21(23)33)28(35)27(13-32)42-31-25(38-3)11-18(12-26(31)39-4)30-20-15-40-29(19(20)14-41-30)17-6-8-22(34)24(10-17)37-2/h5-12,19-20,27-30,32-35H,13-15H2,1-4H3

Canonical and Isomeric SMILES:
COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2OC)C5C4COC(C3=CC(=C(C=C3)O)OC)C4CO5)OC)O)O

Beilstein
buddlenol E

PubChem Substance (SID):   111678085
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3064
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.