psi-Taraxasteryl acetate

Base Information

• Chemical Name: psi-Taraxasteryl acetate
• CAS No.: 4586-65-6
• Molecular Formula: C32H52O2
• Molecular Weight: 468.77
• DSSTox Substance ID: DTXSID20553467
• Wikidata: Q82434055
• Mol file: 4586-65-6.mol

Synonyms:psi-taraxasterol acetate;urs-20-en-3-ol acetate

Chemical Property of psi-Taraxasteryl acetate

Chemical Property:

• Vapor Pressure: 3.19E-10mmHg at 25°C
• Boiling Point: 502.4°C at 760 mmHg
• Flash Point: 254.5°C
• PSA: 26.30000
• Density: 1.02g/cm³
• LogP: 8.59560
• XLogP3: 9.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 468.396730897
• Heavy Atom Count: 34
• Complexity: 885

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CC=C1C)C)C)C)(C)C)OC(=O)C)C

Technology Process of psi-Taraxasteryl acetate

There total 18 articles about psi-Taraxasteryl 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: 7.3%

taraxasterol acetate (6426-43-3,62859-36-3,64090-87-5) → 3β-acetoxy-taraxast-20-ene (4586-65-6,105609-34-5) + 20,30-dihydrotaraxasteryl acetate

Guidance literature:

With palladium on activated charcoal; In hexane; for 4h; Ambient temperature;

DOI:10.1055/s-2006-957998

Reference yield:

acetic acid-(20-hydroxy-20ξH-taraxastanyl-(3β)-ester) (99946-08-4) → 3β-acetoxy-taraxast-20-ene (4586-65-6,105609-34-5)

Guidance literature:

(dehydration);

DOI:10.1016/S0040-4020(01)96937-6

Reference yield:

epi-Φ-taraxastane-3β,20-diol (10376-47-3) → 3β-acetoxy-taraxast-20-ene (4586-65-6,105609-34-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 18 mg / pyridine / Ambient temperature

2: SOCl₂ / pyridine / 5 °C

With thionyl chloride; In pyridine;

DOI:10.1016/S0031-9422(00)97767-7

upstream raw materials:

lupeol acetate

taraxasterol acetate

pyridine

pseudo-taraxasterol