Sekothrixide

Base Information

• Chemical Name: Sekothrixide
• CAS No.: 139182-77-7
• Molecular Formula: C₂₈H₅₀O₆
• Molecular Weight: 482.701
• Metabolomics Workbench ID: 109280
• Mol file: 139182-77-7.mol

Synonyms:sekothrixide

Chemical Property of Sekothrixide

Chemical Property:

• Vapor Pressure: 4.37E-20mmHg at 25°C
• Boiling Point: 657.6°Cat760mmHg
• Flash Point: 207°C
• PSA: 104.06000
• Density: 1g/cm³
• LogP: 4.68700
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 482.36073931
• Heavy Atom Count: 34
• Complexity: 674

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(C)C(C(C)C(C(C)C1CC=C(CC(CC(CC(C(=O)CC(=O)O1)C)C)C)C)O)O)O
• Isomeric SMILES: CCC(C(C)C(C(C)C(C(C)C1C/C=C(\CC(CC(CC(C(=O)CC(=O)O1)C)C)C)/C)O)O)O

Technology Process of Sekothrixide

There total 2 articles about Sekothrixide 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: 40.0%

C40H64O8 → sekothrixide (139182-77-7)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 20 ℃; for 10h;

DOI:10.1021/ol5006856

Reference yield:

C40H66O8 → sekothrixide (139182-77-7)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrapropylammonium perruthennate; 4-methylmorpholine N-oxide / dichloromethane / 1.5 h / 20 °C / Inert atmosphere

2: toluene-4-sulfonic acid / methanol / 10 h / 20 °C

With tetrapropylammonium perruthennate; toluene-4-sulfonic acid; 4-methylmorpholine N-oxide; In methanol; dichloromethane;

DOI:10.1021/ol5006856