bmse010099 Phenyl coumaran biphenyl at BMRB

Phenyl coumaran biphenyl
bmse010099 - data

Phenyl coumaran biphenyl

Molecular Formula: C40 H46 O8
Natural Isotopic Abundance Mass: 654.78844
Mono-Isotopic Molecular Masses: C12N14: 654.3192684534; C13N14: 694.4534619654; C12N15: 654.3192684534; C13N15: 694.4534619654

Phenyl coumaran biphenyl

InCHi String:
InChI=1/C40H46O8/c1-9-11-23-13-27-21(3)37(47-39(27)33(15-23)45-7)25-17-29(35(41)31(19-25)43-5)30-18-26(20-32(44-6)36(30)42)38-22(4)28-14-24(12-10-2)16-34(46-8)40(28)48-38/h13-22,37-38,41-42H,9-12H2,1-8H3

Canonical and Isomeric SMILES:
SMILES_STRING

Beilstein
Phenyl coumaran biphenyl

PubChem Substance (SID):   111677981
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 170
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.