Ergoflavin

Base Information

• Chemical Name: Ergoflavin
• CAS No.: 3101-51-7
• Molecular Formula: C₃₀H₂₆O₁₄
• Molecular Weight: 610.528
• UNII: 073919Y865
• Metabolomics Workbench ID: 112533
• Nikkaji Number: J14.507F
• Wikidata: Q27236252
• Mol file: 3101-51-7.mol

Synonyms:ergoflavin

Chemical Property of Ergoflavin

Chemical Property:

• PSA: 226.58000
• LogP: -0.49300
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 1
• Exact Mass: 610.13225550
• Heavy Atom Count: 44
• Complexity: 1250

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3(C(=O)C4=C(C=CC(=C4O)C5=C(C6=C(C=C5)OC78C(C(CC(C7(C6=O)O)OC8=O)C)O)O)OC3(C1O)C(=O)O2)O
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@]3(C(=O)C4=C(C=CC(=C4O)C5=C(C6=C(C=C5)O[C@@]78[C@H]([C@H](C[C@@H]([C@@]7(C6=O)O)OC8=O)C)O)O)O[C@]3([C@H]1O)C(=O)O2)O

Technology Process of Ergoflavin

There total 1 articles about Ergoflavin 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:

→ Ergoflavin (3101-51-7)

Guidance literature:

1 (R¹=CH3, R²=C6H5CO), HI;

DOI:10.1039/C29710000111