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7382-59-4 | Guaiacyl glycero-β-guaiacyl ether
CAS No: 7382-59-4 Catalog No: AG003QTI MDL No:MFCD00060144
Product Description
Catalog Number:
AG003QTI
Chemical Name:
Guaiacyl glycero-β-guaiacyl ether
CAS Number:
7382-59-4
Molecular Formula:
C17H20O6
Molecular Weight:
320.3371
MDL Number:
MFCD00060144
IUPAC Name:
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
InChI:
InChI=1S/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3
InChI Key:
PPZSOILKWHVNNS-UHFFFAOYSA-N
SMILES:
OCC(C(c1ccc(c(c1)OC)O)O)Oc1ccccc1OC
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.126g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.341g/mol
Monoisotopic Mass:
320.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Laccase catalyzed covalent coupling of fluorophenols increases lignocellulose surface hydrophobicity. | Bioresource technology 20100401 |
| Oxidation of the erythro and threo forms of the phenolic lignin model compound 1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol by laccases and model oxidants. | Bioorganic chemistry 20091001 |
| Disassembly of lignin and chemical recovery in supercritical water and p-cresol mixture. Studies on lignin model compounds. | Bioresource technology 20080401 |
| Significant lability of guaiacylglycerol beta-phenacyl ether under alkaline conditions. | Journal of agricultural and food chemistry 20071031 |
| Non-enzymatic reduction of quinone methides during oxidative coupling of monolignols: implications for the origin of benzyl structures in lignins. | Organic & biomolecular chemistry 20060921 |
| The cellulose/lignin assembly assessed by molecular modeling. Part 1: adsorption of a threo guaiacyl beta-O-4 dimer onto a Ibeta cellulose whisker. | Plant physiology and biochemistry : PPB 20050301 |
| Conformational study of a guaiacyl beta-O-4 lignin model compound by NMR. Examination of intramolecular hydrogen bonding interactions and conformational flexibility in solution. | Magnetic resonance in chemistry : MRC 20040301 |
| Detection and characterization of a novel extracellular fungal enzyme that catalyzes the specific and hydrolytic cleavage of lignin guaiacylglycerol beta-aryl ether linkages. | European journal of biochemistry 20030601 |
| Preparation of antibody against agatharesinol, a norlignan, using a hapten-carrier conjugate. | Phytochemistry 20011101 |
| A search for ligninolytic peroxidases in the fungus pleurotus eryngii involving alpha-keto-gamma-thiomethylbutyric acid and lignin model dimers. | Applied and environmental microbiology 19990301 |
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