Buddlenol C

Base Information

• Chemical Name: Buddlenol C
• CAS No.: 97465-73-1
• Molecular Formula: C₃₂H₃₈O₁₂
• Molecular Weight: 614.647
• NSC Number: 603538
• DSSTox Substance ID: DTXSID201100495
• Nikkaji Number: J181.404D
• Wikidata: Q27105115
• Metabolomics Workbench ID: 68468
• Mol file: 97465-73-1.mol

Synonyms:Buddlenol C;NSC603538;G-b-S-r-S;bmse010110;NSC-603538;97465-73-1;guaiacylglycerol beta-syringaresinol ether;AC1L73A1;SCHEMBL15172307;CHEBI:86635;DTXSID201100495;G(8-O-4)S(8-8)S;2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol;Q27105115;2-[2,6-Dimethoxy-4-[tetrahydro-4-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-furo[3,4-c]furan-1-yl]phenoxy]-1-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol;2-[4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxy-phenoxy]-1-(4-hydroxy-3-methoxy-phenyl)propane-1,3-diol;2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

Chemical Property of Buddlenol C

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 12
• Exact Mass: 614.23632664
• Heavy Atom Count: 44
• Complexity: 852

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC(CO)C(C5=CC(=C(C=C5)O)OC)O)OC

Technology Process of Buddlenol C

There total 1 articles about Buddlenol C 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:

coniferol (458-35-5) + Syringenin (20675-96-1,104330-63-4,537-33-7) → C21H24O7 (172702-55-5) + C31H36O11 (844637-85-0,97399-80-9) + C32H38O12 (97465-73-1) + C33H40O13 (97465-75-3) + C42H50O16 + C43H52O17 + pinoresinol (7452-03-1) + syringaresinol (487-35-4) + (-)-dihydrodehydrodiconiferyl alcohol

Guidance literature:

With PRX₃₄ Arabidopsis thaliana peroxidase; dihydrogen peroxide; at 30 ℃; pH=5.5; aq. phosphate buffer; Enzymatic reaction;

DOI:10.1016/j.phytochem.2010.06.011

Reference yield:

guaiacylglycerol-β-syringaresinol ether (97465-73-1) → syringaresinol (487-35-4) + Acetic acid 4-[4-(4-acetoxy-3,5-dimethoxy-phenyl)-1-hydroxy-tetrahydro-furo[3,4-c]furan-1-yl]-2,6-dimethoxy-phenyl ester + 3-Acetoxy-2-{2,6-dimethoxy-4-[4-(3,4,5-trimethoxy-phenyl)-tetrahydro-furo[3,4-c]furan-1-yl]-phenoxy}-propionic acid methyl ester + Acetic acid 2-{4-[2-acetoxy-2-(4-acetoxy-3-methoxy-phenyl)-1-acetoxymethyl-ethoxy]-3,5-dimethoxy-phenyl}-4-(4-acetoxy-3,5-dimethoxy-benzoyl)-tetrahydro-furan-3-ylmethyl ester

Guidance literature:

In N,N-dimethyl-formamide; at 28 - 30 ℃; for 72h; Further byproducts given; Fusarium solani M-13-1, basal media;

Reference yield:

guaiacylglycerol-β-syringaresinol ether (97465-73-1) → Acetic acid 4-[4-(4-acetoxy-3,5-dimethoxy-phenyl)-1-hydroxy-tetrahydro-furo[3,4-c]furan-1-yl]-2,6-dimethoxy-phenyl ester + Acetic acid 4-(4-acetoxy-3,5-dimethoxy-benzoyl)-2-(4-acetoxy-3,5-dimethoxy-phenyl)-tetrahydro-furan-3-ylmethyl ester + Acetic acid 4-{4-[4-(2-acetoxy-1-acetoxymethyl-ethoxy)-3,5-dimethoxy-phenyl]-tetrahydro-furo[3,4-c]furan-1-yl}-2,6-dimethoxy-phenyl ester + Acetic acid 2-{4-[2-acetoxy-2-(4-acetoxy-3-methoxy-phenyl)-1-acetoxymethyl-ethoxy]-3,5-dimethoxy-phenyl}-4-(4-acetoxy-3,5-dimethoxy-benzoyl)-tetrahydro-furan-3-ylmethyl ester

Guidance literature:

In N,N-dimethyl-formamide; at 28 - 30 ℃; for 72h; Further byproducts given; Fusarium solani M-13-1, basal media;

upstream raw materials:

coniferol

Syringenin

Downstream raw materials:

syringaresinol

Refernces