Aloeresin A

Base Information

• Chemical Name: Aloeresin A
• CAS No.: 74545-79-2
• Molecular Formula: C28H28O11
• Molecular Weight: 540.524
• UNII: 73899319HU
• Nikkaji Number: J390.316H
• Wikidata: Q27155272
• Mol file: 74545-79-2.mol

Synonyms:aloeresin A

Chemical Property of Aloeresin A

Chemical Property:

• Melting Point: 148-150°
• Boiling Point: 768.8±60.0 °C(Predicted)
• PKA: 6.46±0.40(Predicted)
• PSA: 183.96000
• Density: 1.52±0.1 g/cm3(Predicted)
• LogP: 1.42330
• XLogP3: 1
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 540.16316171
• Heavy Atom Count: 39
• Complexity: 969

Purity/Quality:

98%Min ^*data from raw suppliers

AloeresinA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)OC(=O)C=CC4=CC=C(C=C4)O)O
• Isomeric SMILES: CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O)O
• Uses: Aloeresin A is an inhibitor of α-glucosidase that can be converted to p-couramic and aloesin.

Technology Process of Aloeresin A

There total 1 articles about Aloeresin A 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: 66.8%

aloesin (30861-27-9) + p-Coumaric Acid (7400-08-0,50940-26-6) → aloeresin A (74545-79-2)

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; In tetrahydrofuran; for 36h; Ambient temperature;

DOI:10.1016/S0040-4039(97)01483-4

Reference yield:

aloeresin A (74545-79-2) → aloesin (30861-27-9) + p-Coumaric Acid (7400-08-0,50940-26-6)

Guidance literature:

With water; hydrogenchloride; at 90 ℃; for 5.5h; Product distribution / selectivity;

Reference yield:

aloeresin A (74545-79-2) → p-Coumaric Acid (7400-08-0,50940-26-6) + deacetylaloesin (30861-29-1)

Guidance literature:

With sodium hydroxide; Product distribution;

DOI:10.1016/S0040-4039(00)87358-X

upstream raw materials:

aloesin

p-Coumaric Acid

Downstream raw materials:

p-Coumaric Acid

deacetylaloesin

aloesin

Refernces