9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate

Base Information Edit

Chemical Name:9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate
CAS No.:38680-83-0
Molecular Formula:C23H28O6
Molecular Weight:400.472
Hs Code.:
European Community (EC) Number:254-079-3
UNII:85PMV8F52D
DSSTox Substance ID:DTXSID50191977
Nikkaji Number:J319.826J
Wikidata:Q72470953
Mol file:38680-83-0.mol

Synonyms:38680-83-0;9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate;9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate;EINECS 254-079-3;EC 254-079-3;[2-[(1S,2S,10S,11S,14R,15S,17S)-14-hydroxy-2,15-dimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl]-2-oxoethyl] acetate;85PMV8F52D;SCHEMBL5708123;DTXSID50191977;DBNHODAAFAHQNY-WWUWEVONSA-N;AKOS015901635;9beta,11beta-epoxy-21-acetoxy-17-hydroxy-pregna-1,4-diene-3,20-dione;9beta,11beta-epoxy-21-acetoxy-17-hydroxypregna-1,4-diene-3,20-dione;(9beta,11beta)-21-(Acetyloxy)-9,11-epoxy-17-hydroxypregna-1,4-diene-3,20-dione;9beta-Pregna-1,4-diene-3,20-dione, 9,11beta-epoxy-17,21-dihydroxy-, 21-acetate;Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9,11-epoxy-17-hydroxy-, (9beta,11beta)-

Suppliers and Price of 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate

Supply Marketing:Edit

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
9-BETA,11-BETA-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE 95.00%
5MG
$ 504.32

Total 27 raw suppliers

Chemical Property of 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate Edit

Chemical Property:

Boiling Point:572.7 °C at 760 mmHg
Flash Point:197.8 °C
PSA：93.20000
Density:1.325 g/cm³
LogP:2.28890
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:400.18858861
Heavy Atom Count:29
Complexity:888

Purity/Quality:

99.9% ^*data from raw suppliers

9-BETA,11-BETA-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE 21-ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OCC(=O)C1(CCC2C1(CC3C4(C2CCC5=CC(=O)C=CC54C)O3)C)O
Isomeric SMILES:CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H]3[C@@]4([C@H]2CCC5=CC(=O)C=C[C@@]54C)O3)C)O

Technology Process of 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate

There total 15 articles about 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione 21-acetate 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: 95.6%

: 4380-55-6
pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate

: 38680-83-0
21-acetyloxy-9β,11β-epoxy-17α-hydroxy-1,4-diene-3,20-dione

Guidance literature:: pregna-1,4,9(11)-triene-17α,21-diol-3,20-dione 21-acetate; With perchloric acid; In water; acetone; at 0 - 5 ℃; for 0.166667h;

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In water; acetone; at 0 - 5 ℃; for 1h;

With potassium carbonate; sodium sulfite; In water; acetone; at 0 - 35 ℃; for 2h;
DOI:10.1246/cl.170923