Dihydroepineoergosterol acetate

Base Information

• Chemical Name: Dihydroepineoergosterol acetate
• CAS No.: 15019-43-9
• Molecular Formula: C₂₉H₄₄O₂
• Molecular Weight: 424.667
• NSC Number: 90629
• Mol file: 15019-43-9.mol

Synonyms:Dihydroepineoergosterol acetate;KREGYMYHIDTTHK-CGSRURIWSA-N;NSC90629;NSC-90629;15019-43-9;17-(1,4,5-Trimethylhexyl)estra-5(10),6,8-trien-3-yl acetate #

Chemical Property of Dihydroepineoergosterol acetate

Chemical Property:

• Vapor Pressure: 2.07E-10mmHg at 25°C
• Boiling Point: 507.2°Cat760mmHg
• Flash Point: 257.5°C
• Density: 1.02g/cm³
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 424.334130642
• Heavy Atom Count: 31
• Complexity: 626

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)CCC(C)C1CCC2C1(CCC3=C2C=CC4=C3CCC(C4)OC(=O)C)C
• Isomeric SMILES: C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2C=CC4=C3CC[C@@H](C4)OC(=O)C)C

Technology Process of Dihydroepineoergosterol acetate

There total 7 articles about Dihydroepineoergosterol 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:

3β-acetoxy-19-nor-ergosta-5,7,9,22t-tetraene (32277-79-5) → 3β-Acetoxy-19-nor-Δ5,7,9(10)-ergostratrien (Dihydroneoergosterylacetat) (15019-43-9)

Guidance literature:

With palladium; acetone; Hydrogenation;

DOI:10.1021/ja01255a507

Reference yield:

neoergosterol (516-98-3) → 3β-Acetoxy-19-nor-Δ5,7,9(10)-ergostratrien (Dihydroneoergosterylacetat) (15019-43-9)

Guidance literature:

Multi-step reaction with 2 steps

1: platinum; diethyl ether / 2206.5 Torr / Hydrogenation

With diethyl ether; platinum;

DOI:10.1021/ja01255a507

Reference yield:

19-nor-ergostatrien-(B)-ol-(3β) (15019-42-8) + acetic anhydride (108-24-7) → 3β-Acetoxy-19-nor-Δ5,7,9(10)-ergostratrien (Dihydroneoergosterylacetat) (15019-43-9)

Guidance literature:

DOI:10.1021/ja01255a507

upstream raw materials:

3β-acetoxy-19-nor-ergosta-5,7,9,22t-tetraene

19-nor-ergostatrien-(B)-ol-(3β)

acetic anhydride

diethyl ether