3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate

Base Information

Chemical Name:3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate
CAS No.:4970-39-2
Molecular Formula:C23H32O4
Molecular Weight:372.505
Hs Code.:
European Community (EC) Number:225-611-1
NSC Number:60797
UNII:3HT3Y96X4U
DSSTox Substance ID:DTXSID501228232
Nikkaji Number:J203.211B
Wikidata:Q27148973
Mol file:4970-39-2.mol

Synonyms:4970-39-2;3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate;NSC-60797;3HT3Y96X4U;CHEBI:79835;DTXSID501228232;NSC60797;3alpha-(Acetyloxy)-5beta-pregn-16-ene-11,20-dione;Q27148973;Pregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3alpha,5beta)-;3-HYDROXY-PREGN-16-ENE-11,20-DIONE ACETATE, (3.ALPHA.,5.BETA.)-;3.ALPHA.-HYDROXY-5.BETA.-PREGN-16-ENE-11,20-DIONE ACETATE;5.BETA.-PREGN-16-ENE-11,20-DIONE, 3.ALPHA.-HYDROXY-, ACETATE;PREGN-16-ENE-11,20-DIONE, 3-(ACETYLOXY)-, (3.ALPHA.,5.BETA.)-;((3R,5R,8S,9S,10S,13S,14S)-17-ACETYL-10,13-DIMETHYL-11-OXO-1,2,3,4,5,6,7,8,9,12,14,15-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL) ACETATE

Suppliers and Price of 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate

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 6 raw suppliers

Chemical Property of 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate

Chemical Property:

Boiling Point:490.5°Cat760mmHg
Flash Point:211.7°C
PSA：60.44000
Density:1.14g/cm³
LogP:4.26510
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:372.23005950
Heavy Atom Count:27
Complexity:722

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)OC(=O)C)C)C
Isomeric SMILES:CC(=O)C1=CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

Technology Process of 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-acetate

There total 15 articles about 3alpha-Hydroxy-5beta-pregn-16-ene-11,20-dione 3-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:

: 4250-57-1,4732-32-5,4947-79-9,108146-27-6,120964-55-8,121009-61-8,122291-14-9
(25R)-3α-acetoxy-5β-spirostan-11-one

: 4970-39-2
3α-acetoxy-5β-pregn-16-ene-11,20-dione

Guidance literature:: With acetic anhydride; at 180 ℃; Behandeln des Reaktionsprodukts mit CrO₃ und Essigsaeure und anschliessend Erwaermen mit wss.-methanol.KHCO₃;
DOI:10.1021/ja01114a010

Reference yield:

: 6870-70-8,107596-84-9,117956-77-1
(25R)-3α-acetoxy-5β-spirost-8-ene-7,11-dione

: 4970-39-2
3α-acetoxy-5β-pregn-16-ene-11,20-dione

Guidance literature:: Multi-step reaction with 4 steps

1: acetic acid; zinc

2: hydrogen bromide; acetic acid

3: Raney nickel; ethanol

4: acetic acid anhydride / 180 °C / Behandeln des Reaktionsprodukts mit CrO₃ und Essigsaeure und anschliessend Erwaermen mit wss.-methanol.KHCO₃

With ethanol; hydrogen bromide; acetic anhydride; nickel; acetic acid; zinc;
DOI:10.1021/ja01114a010

Reference yield:

: 108248-60-8
(25R)-3α-acetoxy-7,7-ethanediyldimercapto-5β-spirostan-11-one

: 4970-39-2
3α-acetoxy-5β-pregn-16-ene-11,20-dione

Guidance literature:: Multi-step reaction with 2 steps

1: Raney nickel; ethanol

2: acetic acid anhydride / 180 °C / Behandeln des Reaktionsprodukts mit CrO₃ und Essigsaeure und anschliessend Erwaermen mit wss.-methanol.KHCO₃

With ethanol; acetic anhydride; nickel;
DOI:10.1021/ja01114a010