Aldosterone, monoacetate

Base Information

• Chemical Name: Aldosterone, monoacetate
• CAS No.: 297-91-6
• Molecular Formula: C23H30 O6
• Molecular Weight: 402.488
• NSC Number: 73857
• UNII: RH7JOB7P70
• DSSTox Substance ID: DTXSID701043375
• Nikkaji Number: J82.261B
• Wikidata: Q27288120
• Mol file: 297-91-6.mol

Synonyms:aldosterone-21-acetate;aldosterone-21-acetate, (+-)-isomer

Chemical Property of Aldosterone, monoacetate

Chemical Property:

• Boiling Point: 577.6°Cat760mmHg
• Flash Point: 197.5°C
• PSA: 97.74000
• Density: 1.26g/cm³
• LogP: 2.41650
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 402.20423867
• Heavy Atom Count: 29
• Complexity: 784

Purity/Quality:

99% ^*data from raw suppliers

11-BETA,18-EPOXY-18-HYDROXY-3,20-DIOXOPREGN-4-EN-21-YL 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)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C=O
• Isomeric SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C=O

Technology Process of Aldosterone, monoacetate

There total 6 articles about Aldosterone, monoacetate 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:

rac-21-acetoxy-11β-hydroxy-3,20-dioxo-pregn-4-en-18-al (297-91-6,1509-18-8) → rac-21-acetoxy-11β-hydroxy-3,20-dioxo-17βH-pregn-4-en-18-al (297-91-6,1509-18-8)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol. K₂CO₃

2: durch aufeinanderfolgende Umsetzung mit wss. Essigsaeure

With potassium carbonate;

DOI:10.1002/hlca.19570400729

Reference yield:

rac-11β,21-dihydroxy-3,20-dioxo-17βH-pregn-4-en-18-al (52-39-1,125-77-9,13479-36-2,47468-70-2) + acetic anhydride (108-24-7) → rac-21-acetoxy-11β-hydroxy-3,20-dioxo-17βH-pregn-4-en-18-al (297-91-6,1509-18-8)

Guidance literature:

durch aufeinanderfolgende Umsetzung mit wss. Essigsaeure;

DOI:10.1002/hlca.19570400729

Reference yield:

→ Aldosteron-21-acetat (297-91-6,1509-18-8)

Guidance literature:

21-Acetoxy-3-aethylendioxy-11β-hydroxy-18,20-dioxo-pregn-5-en, Toluol-4-sulfonsaeure/Acn.;

upstream raw materials:

rac-11β,21-dihydroxy-3,20-dioxo-17βH-pregn-4-en-18-al

acetic anhydride

rac-21-acetoxy-11β-hydroxy-3,20-dioxo-pregn-4-en-18-al

Downstream raw materials:

rac-(18Ξ)-18,21-diacetoxy-11β,18-epoxy-pregn-4-ene-3,20-dione

aldosterone

rac-21-acetoxy-11β-hydroxy-3,20-dioxo-17βH-pregn-4-en-18-al

rac-11β,21-dihydroxy-3,20-dioxo-17βH-pregn-4-en-18-al