Aspalathin

Base Information

Chemical Name:Aspalathin
CAS No.:6027-43-6
Molecular Formula:C21H24O11
Molecular Weight:452.415
Hs Code.:
European Community (EC) Number:806-260-9
DSSTox Substance ID:DTXSID90726949
Metabolomics Workbench ID:75182
Nikkaji Number:J82.055E
Wikipedia:Aspalathin
Mol file:6027-43-6.mol

Synonyms:aspalathin

Suppliers and Price of Aspalathin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Aspalathin
2.5mg
$ 125.00

Sigma-Aldrich
Aspalathin primary pharmaceutical reference standard
10mg
$ 268.00

American Custom Chemicals Corporation
ASPALATHIN 95.00%
5MG
$ 505.24

Total 23 raw suppliers

Chemical Property of Aspalathin

Chemical Property:

Melting Point:131-165℃
Boiling Point:753.8±60.0 °C(Predicted)
PKA:7.16±0.50(Predicted)
PSA：208.37000
Density:1.662±0.06 g/cm3 (20 ºC 760 Torr)
LogP:-0.45500
Storage Temp.:?20°C
XLogP3:-0.2
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:452.13186158
Heavy Atom Count:32
Complexity:633

Purity/Quality:

95%-98% ^*data from raw suppliers

Aspalathin ^*data from reagent suppliers

Safty Information:

Pictogram(s): 1412711
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)C3C(C(C(C(O3)CO)O)O)O)O)O)O)O
Isomeric SMILES:C1=CC(=C(C=C1CCC(=O)C2=C(C=C(C(=C2O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O

Technology Process of Aspalathin

There total 2 articles about Aspalathin 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: 77.0%

: 1220779-38-3
C₇₇H₆₈O₁₁

: 6027-43-6
3′-C-β-D-glucopyranosyl-2′,3,4,4′,6′-pentahydroxydihydrochalcone

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; ethyl acetate; for 2h; under 760.051 Torr;
DOI:10.1021/ol100315g