Lantadene B

Base Information

• Chemical Name: Lantadene B
• CAS No.: 467-82-3
• Molecular Formula: C35H52O5
• Molecular Weight: 552.795
• UNII: A54682CY7G
• ChEMBL ID: CHEMBL2413418
• DSSTox Substance ID: DTXSID60196913
• Metabolomics Workbench ID: 142636
• Nikkaji Number: J12.095B
• Wikidata: Q27273646
• Mol file: 467-82-3.mol

Synonyms:lantadene B

Chemical Property of Lantadene B

Chemical Property:

• Vapor Pressure: 2.68E-17mmHg at 25°C
• Boiling Point: 626.3°C at 760 mmHg
• PKA: 4.11±0.70(Predicted)
• Flash Point: 187.9°C
• PSA: 80.67000
• Density: 1.12g/cm³
• LogP: 7.92970
• XLogP3: 8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 552.38147475
• Heavy Atom Count: 40
• Complexity: 1190

Purity/Quality:

LANTADENE B 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C)C
• Isomeric SMILES: CC(=CC(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C)C

Technology Process of Lantadene B

There total 1 articles about Lantadene B 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:

→ Lantaden B (467-82-3)

Guidance literature:

Reference yield:

22β-[(3-methyl-1-oxo-2-butenyl)oxy]-3-oxoolean-12-en-28-oic acid (467-82-3) → 1,2,6-trimethyl-phenanthrene (30436-55-6) + 1,2,7-trimethylnaphthalene (486-34-0)

Guidance literature:

at 350 ℃;

Reference yield:

22β-[(3-methyl-1-oxo-2-butenyl)oxy]-3-oxoolean-12-en-28-oic acid (467-82-3) → 3β,22β-di((RS)-2-(3-benzoylphenyl)propanoyloxy)olean-12-en-28-oicacid + 3β-((RS)-2-(3-benzoylphenyl)propanoyloxy)-22β-hydroxy-olean-12-en-28-oicacid

Guidance literature:

Multi-step reaction with 3 steps

1: potassium hydroxide / 6 h / Reflux

2: sodium tetrahydroborate / tetrahydrofuran; methanol / 7 h

3: pyridine; dmap / Reflux

With pyridine; dmap; sodium tetrahydroborate; potassium hydroxide; In tetrahydrofuran; methanol;

DOI:10.1039/c4ra00280f

Downstream raw materials:

1,2,6-trimethyl-phenanthrene

1,2,7-trimethylnaphthalene