11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate

Base Information

Chemical Name:11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate
CAS No.:31311-74-7
Molecular Formula:C28H32 O6
Molecular Weight:464.558
Hs Code.:
European Community (EC) Number:250-562-8
DSSTox Substance ID:DTXSID40185244
Nikkaji Number:J278.088G
Wikidata:Q83056242
Mol file:31311-74-7.mol

Synonyms:31311-74-7;11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate;EINECS 250-562-8;DTXSID40185244;NS00029055

Suppliers and Price of 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate

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 5 raw suppliers

Chemical Property of 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate

Chemical Property:

Boiling Point:641.5±55.0 °C(Predicted)
PKA:12.98±0.10(Predicted)
PSA：100.90000
Density:1.30±0.1 g/cm3(Predicted)
LogP:3.42230
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:464.21988874
Heavy Atom Count:34
Complexity:945

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC(C3C(C1CCC2(C(=O)CO)OC(=O)C4=CC=CC=C4)CCC5=CC(=O)C=CC35C)O
Isomeric SMILES:C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)OC(=O)C4=CC=CC=C4)CCC5=CC(=O)C=C[C@]35C)O

Technology Process of 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate

There total 2 articles about 11beta,17,21-Trihydroxypregna-1,4-diene-3,20-dione 17-benzoate 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: 70.0%