Deacetylasperulosidic acid

Base Information

• Chemical Name: Deacetylasperulosidic acid
• CAS No.: 14259-55-3
• Molecular Formula: C₁₆H₂₂O₁₁
• Molecular Weight: 390.344
• UNII: 00399V6E44
• DSSTox Substance ID: DTXSID10931538
• Nikkaji Number: J435.591A
• Wikidata: Q3604516,Q27231310
• Wikipedia: Deacetylasperulosidic_acid
• Mol file: 14259-55-3.mol

Synonyms:Deacetylasperulosidic acid;14259-55-3;Desacetylasperulosidic acid;10-Deacetylasperulosidic acid;00399V6E44;(1S,4aS,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid;DESACETYL ASPERULOSIDIC ACID;UNII-00399V6E44;Deacetyl asperulosidic acid;Desacetyl-asperulosidic-acid;DEACETYLASPELUROSIDIC ACID;DTXSID10931538;HY-N0594;AKOS030530176;(1S,4aS,5S,7aS)-1-(b-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid;AC-34578;Cyclopenta(c)pyran-4-carboxylic acid, 1alpha-(beta-D-glucopyranosyloxy)-1,4aalpha,5,7aalpha-tetrahydro-5beta-hydroxy-7-(hydroxymethyl)-;MS-26495;1ST177766;CS-0009604;Q3604516;Q27231310;(1S,4aS,5S,7aS)-1-(beta-D-Glucopyranosyloxy)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid;CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)-, (1.ALPHA.,4A.ALPHA.,5.BETA.,7A.ALPHA.)-;CYCLOPENTA(C)PYRAN-4-CARBOXYLIC ACID, 1-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,4A,5,7A-TETRAHYDRO-5-HYDROXY-7-(HYDROXYMETHYL)-, (1S,4AS,5S,7AS)-

Chemical Property of Deacetylasperulosidic acid

Chemical Property:

• Boiling Point: 744.1±60.0 °C(Predicted)
• PKA: 4.34±0.70(Predicted)
• PSA: 186.37000
• Density: 1.73
• LogP: -3.34670
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 5
• Exact Mass: 390.11621151
• Heavy Atom Count: 27
• Complexity: 632

Purity/Quality:

99%, ^*data from raw suppliers

Desacetylasperulosidicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C2C(C1O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)CO
• Isomeric SMILES: C1=C([C@@H]2[C@H]([C@H]1O)C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)CO

Technology Process of Deacetylasperulosidic acid

There total 3 articles about Deacetylasperulosidic acid 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:

C36H44O22 → 10-deacetylasperulosidic acid (14259-55-3,18842-99-4)

Guidance literature:

With sodium hydroxide; at 20 ℃; for 4.5h;

DOI:10.1248/cpb.50.1395

Reference yield:

→ Deacetyl-asperulosidic acid (14259-55-3,18842-99-4)

Guidance literature:

Deacetylasperulosid, Ba(OH)2 in W. ;

Reference yield:

→ 10-Deacetylasperulosidinsaeure (14259-55-3,18842-99-4)

Guidance literature:

Asperulosidinsaeure 2, NaOH/H2O;

Refernces