bmse010379 SP-(8-8)-S at BMRB

SP-(8-8)-S

SP-(8-8)-S; tetrahydro-A4,2-bis-(4-hydroxy-3,5-dimethoxyphenyl)A-3O-(4-hydroxybenzoyl)-3,4-furandimethanol

Molecular Formula: C29 H32 O11
Natural Isotopic Abundance Mass: 556.55778
Mono-Isotopic Molecular Masses: C12N14: 556.1944618703; C13N14: 585.2917521665; C12N15: 556.1944618703; C13N15: 585.2917521665

SP-(8-8)-S

InCHi String:
InChI=1/C29H32O11/c1-35-21-9-16(10-22(36-2)26(21)32)25(31)19-13-39-28(17-11-23(37-3)27(33)24(12-17)38-4)20(19)14-40-29(34)15-5-7-18(30)8-6-15/h5-12,19-20,25,28,30-33H,13-14H2,1-4H3

Canonical and Isomeric SMILES:
COC1=C(C(=CC(=C1)C(C3COC(C2=CC(=C(C(=C2)OC)O)OC)C3COC(C4=CC=C(C=C4)O)=O)O)OC)O

Lignin abbreviation
SP-(8-8)-S

PubChem Substance (SID):   111678087
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3066
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.