Allobetulone

Base Information

Chemical Name:Allobetulone
CAS No.:28282-22-6
Molecular Formula:C₃₀H₄₈O₂
Molecular Weight:440.71
Hs Code.:
ChEMBL ID:CHEMBL3233721
Metabolomics Workbench ID:144702
Nikkaji Number:J542.647B

Synonyms:allobetulone;Allobetulon;NSC 121367;CHEMBL3233721

Suppliers and Price of Allobetulone

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

Total 4 raw suppliers

Chemical Property of Allobetulone

Chemical Property:

Vapor Pressure:9.38E-11mmHg at 25°C
Boiling Point:516°C at 760 mmHg
Flash Point:175.9°C
Density:1.05g/cm³
XLogP3:7.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:440.365430770
Heavy Atom Count:32
Complexity:842

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCC(=O)C6(C)C)C)C)C)C
Isomeric SMILES:C[C@@]12CC[C@@]34CCC([C@@H]([C@@H]3[C@H]1CC[C@H]5[C@]2(CC[C@@H]6[C@@]5(CCC(=O)C6(C)C)C)C)OC4)(C)C

Technology Process of Allobetulone

There total 22 articles about Allobetulone 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: 95.0%

: allobetulin

: 125225-30-1,28282-22-6
allobetulone

Guidance literature:: With sodium hypochlorite; In acetic acid; at 20 ℃; for 1h;
DOI:10.1023/B:CONC.0000033930.76751.b7

Reference yield: 90.0%

: 1617-72-7,5713-24-6,125225-35-6,137173-47-8
allobetulin

: 125225-30-1,28282-22-6
allobetulone

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; triethylamine; In dichloromethane; at -78 - 0 ℃;
DOI:10.1080/00397911.2020.1750655