Urolignoside

Base Information

• Chemical Name: Urolignoside
• CAS No.: 131723-83-6
• Molecular Formula: C26H34 O11
• Molecular Weight: 522.549
• DSSTox Substance ID: DTXSID001317999
• Nikkaji Number: J735.698F
• Wikidata: Q104400348
• Metabolomics Workbench ID: 128305
• ChEMBL ID: CHEMBL2336751
• Mol file: 131723-83-6.mol

Synonyms:Urolignoside;131723-83-6;(7S,8R)-Urolignoside;CHEMBL2336751;(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(2S,3R)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol;DTXSID001317999;BDBM50456386;AKOS040762469;FS-8797;HY-133183;CS-0113158

Chemical Property of Urolignoside

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 10
• Exact Mass: 522.21011190
• Heavy Atom Count: 37
• Complexity: 697

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)CCCO
• Isomeric SMILES: COC1=CC(=CC2=C1O[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)CCCO

Technology Process of Urolignoside

There total 1 articles about Urolignoside 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:

jasurolignoside → 4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside (131723-83-6)

Guidance literature:

With sodium hydroxide; at 20 ℃;

DOI:10.1016/S0031-9422(98)00032-6

Reference yield:

4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside (131723-83-6) → 2α,3β-7-O-methylcedrusin (14049-57-1,79171-87-2,85165-02-2,125874-72-8,126253-41-6,133318-48-6,28199-69-1)

Guidance literature:

With β-glucosidase; In various solvent(s); at 37 ℃; for 2.5h; Enzymatic reaction;

DOI:10.1016/S0031-9422(98)00032-6

Reference yield:

acetic anhydride (108-24-7) + 4-[(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-(methoxy)benzofuran-1-yl]-2-methoxyphenyl β-D-glucopyranoside (131723-83-6) → dihydrodehydrodiconiferyl alcohol 4-O-β-D-glucopyranoside acetate

Guidance literature:

In pyridine; acetic anhydride; at 20 ℃;

DOI:10.1016/S0031-9422(98)00032-6

Downstream raw materials:

2α,3β-7-O-methylcedrusin

Refernces