bmse010176 S-a-S-b-S at BMRB

S-a-S-b-S
bmse010176 - data

S-a-S-b-S

Molecular Formula: C33 H40 O12
Natural Isotopic Abundance Mass: 628.6635
Mono-Isotopic Molecular Masses: C12N14: 628.2519767492; C13N14: 661.3626863966; C12N15: 628.2519767492; C13N15: 661.3626863966

S-a-S-b-S

InCHi String:
InChI=1/C33H40O12/c1-18-11-23(36-5)32(24(12-18)37-6)44-29(17-42-20(3)34)30(45-33-25(38-7)13-19(2)14-26(33)39-8)22-15-27(40-9)31(43-21(4)35)28(16-22)41-10/h11-16,29-30H,17H2,1-10H3

Canonical and Isomeric SMILES:
CC1=CC(=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)OC3=C(C=C(C)C=C3OC)OC)OC

Lignin abbreviation
S-a-S-b-S

PubChem Substance (SID):   111678034
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 266
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.