Quingestanol acetate

Base Information

• Chemical Name: Quingestanol acetate
• CAS No.: 3000-39-3
• Molecular Formula: C27H36 O3
• Molecular Weight: 408.581
• European Community (EC) Number: 221-078-4
• UNII: M33GGZ63KG
• DSSTox Substance ID: DTXSID50952409
• Nikkaji Number: J7.660K
• Wikipedia: Quingestanol_acetate
• Wikidata: Q7272228
• NCI Thesaurus Code: C152125
• Pharos Ligand ID: NYJG5XKLH5AD
• Metabolomics Workbench ID: 155039
• ChEMBL ID: CHEMBL2105291
• Mol file: 3000-39-3.mol

Synonyms:quingestanol;quingestanol acetate

Chemical Property of Quingestanol acetate

Chemical Property:

• Melting Point: 183°C
• Refractive Index: 1.4700 (estimate)
• Boiling Point: 527.4°Cat760mmHg
• Flash Point: 229.3°C
• PSA: 35.53000
• Density: 1.13g/cm³
• LogP: 5.94720
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 408.26644501
• Heavy Atom Count: 30
• Complexity: 822

Purity/Quality:

99% ^*data from raw suppliers

QUINGESTANOL AC 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1(CCC2C1(CCC3C2CC=C4C3CCC(=C4)OC5CCCC5)C)C#C
• Isomeric SMILES: CC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CCC(=C4)OC5CCCC5)C)C#C
• Uses: Progestin.

Technology Process of Quingestanol acetate

There total 1 articles about Quingestanol 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:

→ 3-Cyclopentyloxy-17α-ethinyl-17β-acetoxy-oestr-3,5-dien (3000-39-3)

Guidance literature:

17α-Aethinyl-19-nor-testosteron-3.17-diacetat ,Cyclopentanol ;