Coriariin B

Base Information

• Chemical Name: Coriariin B
• CAS No.: 106339-49-5
• Molecular Formula: C48H34 O31
• Molecular Weight: 1106.78
• Wikidata: Q104393821
• Mol file: 106339-49-5.mol

Synonyms:Coriariin B;106339-49-5;beta.-D-Glucopyranose, cyclic 4,6-((1S)-4,4',5,5',6,6'-hexahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 1-(3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoate) 2,3-bis(3,4,5-trihydroxybenzoate);beta.-D-Glucopyranose, cyclic 4,6-[(1S)-4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 1-[3-(6-carboxy-2,3,4-trihydroxyphenoxy)-4,5-dihydroxybenzoate] 2,3-bis(3,4,5-trihydroxybenzoate);2-[5-[hexahydroxy-dioxo-bis[(3,4,5-trihydroxybenzoyl)oxy][?]yl]oxycarbonyl-2,3-dihydroxy-phenoxy]-3,4,5-trihydroxy-benzoic acid

Chemical Property of Coriariin B

Chemical Property:

• PSA: 531.17000
• LogP: 2.56820
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 12
• Exact Mass: 1106.10840428
• Heavy Atom Count: 79
• Complexity: 2180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)OC4=C(C(=C(C=C4C(=O)O)O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O

Technology Process of Coriariin B

There total 6 articles about Coriariin B which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

C146H118O31 → coriariin B (106339-49-5)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; at 20 ℃; for 14h;

DOI:10.3987/COM-18-S(T)79

Reference yield:

coriariin J → coriariin B (106339-49-5)

Guidance literature:

With disodium hydrogenphosphate; potassium dihydrogenphosphate; at 37 ℃; for 5h;

DOI:10.1248/cpb.40.1703

Reference yield:

coriariin A → tellimagrandin I (30737-92-9,118014-28-1,118014-29-2) + coriariin B (106339-49-5)

Guidance literature:

In water; at 55 ℃; for 17h;

DOI:10.1248/cpb.34.4092

upstream raw materials:

coriariin A

Downstream raw materials:

heptadeca-O-methylcoriariin B monomethyl ester