Acetoxolone

Base Information

Chemical Name:Acetoxolone
CAS No.:6277-14-1
Molecular Formula:C₃₂H₄₈O₅
Molecular Weight:512.73
Hs Code.:
European Community (EC) Number:228-475-1
NSC Number:35349
UNII:CWW961Q19K
DSSTox Substance ID:DTXSID801031583
Nikkaji Number:J211.515H
Wikipedia:Acetoxolone
Wikidata:Q4673282
NCI Thesaurus Code:C98247
Pharos Ligand ID:LDD91WJRC73C
Metabolomics Workbench ID:126751
ChEMBL ID:CHEMBL207413
Mol file:6277-14-1.mol

Synonyms:acetoxolone;acetylglycyrrhetate;acetylglycyrrhetinic acid;acetylglycyrrhetinic acid, (3beta,18alpha,20beta)-isomer;acetylglycyrrhetinic acid, aluminum salt

Suppliers and Price of Acetoxolone

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

American Custom Chemicals Corporation
ACETOXOLONE 95.00%
5MG
$ 501.35

Total 30 raw suppliers

Chemical Property of Acetoxolone

Chemical Property:

Vapor Pressure:0-0Pa at 20-30℃
Melting Point:322-325°
Boiling Point:597.0±50.0 °C(Predicted)
PKA:4.71±0.70(Predicted)
PSA：80.67000
Density:1.14±0.1 g/cm3(Predicted)
LogP:6.98340
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:512.35017463
Heavy Atom Count:37
Complexity:1070

Purity/Quality:

99.9% ^*data from raw suppliers

ACETOXOLONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Isomeric SMILES:CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C(=O)C=C4[C@]3(CC[C@@]5([C@H]4C[C@@](CC5)(C)C(=O)O)C)C)C)C
Therapeutic Function Antiulcer

Technology Process of Acetoxolone

There total 11 articles about Acetoxolone 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: 98.2%

: 471-53-4
enoxolone

: 108-24-7
acetic anhydride

: 10379-73-4,10379-77-8,18305-96-9,6277-14-1
acetoxolone

Guidance literature:: With pyridine; at 20 ℃; for 16h;
DOI:10.1016/j.bioorg.2018.03.018

Reference yield: 91.0%

: 471-53-4
enoxolone

: 75-36-5
acetyl chloride

: 10379-73-4,10379-77-8,18305-96-9,6277-14-1
acetoxolone

Guidance literature:: With pyridine; In dichloromethane; at 25 ℃;
DOI:10.1515/znb-2011-0513

Reference yield: 85.0%

: 471-53-4
enoxolone

: 64-19-7,77671-22-8
acetic acid

: 10379-73-4,10379-77-8,18305-96-9,6277-14-1
acetoxolone

Guidance literature:: enoxolone; In acetic anhydride; for 2h; Reflux;

acetic acid; In water; acetic anhydride; Heating;
DOI:10.1016/j.ejmech.2018.04.031