Dehydroeburicoic acid

Base Information

• Chemical Name: Dehydroeburicoic acid
• CAS No.: 6879-05-6
• Molecular Formula: C31H48O3
• Molecular Weight: 468.71102
• ChEMBL ID: CHEMBL1744446
• Metabolomics Workbench ID: 117265
• Nikkaji Number: J20.298C
• Wikidata: Q27149860
• Mol file: 6879-05-6.mol

Synonyms:24-methylene-3-oxolanosta-7,9(11)-dien-21-oic acid;dehydroeburicoic acid

Chemical Property of Dehydroeburicoic acid

Chemical Property:

• XLogP3: 7.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 468.36034539
• Heavy Atom Count: 34
• Complexity: 923

Purity/Quality:

99%+, ^*data from raw suppliers

Dehydrotrametenolicacid 99.87% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=C)CCC(C1CCC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O
• Isomeric SMILES: CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O

Technology Process of Dehydroeburicoic acid

There total 7 articles about Dehydroeburicoic acid 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-hydroxy-7-oxo-eburica-8,24(28)-dien-21-oic acid → Dehydroeburicoic acid (6879-05-6)

Guidance literature:

With pentan-1-ol; sodium;

Reference yield:

3β-hydroxy-7-oxo-eburica-8,24(28)-dien-21-oic acid → 3α-hydroxy-eburica-7,9(11),24(28)-trien-21-oic acid (6879-05-6)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium; pentan-1-ol

2: aluminium tert-butylate; dioxane; cyclohexanone

With 1,4-dioxane; pentan-1-ol; sodium; cyclohexanone; aluminum tri-tert-butoxide;

Reference yield:

3β-acetoxy-7-oxo-eburica-8,24(28)-dien-21-oic acid → 3α-hydroxy-eburica-7,9(11),24(28)-trien-21-oic acid (6879-05-6)

Guidance literature:

Multi-step reaction with 4 steps

2: sodium; pentan-1-ol

3: aluminium tert-butylate; dioxane; cyclohexanone

With 1,4-dioxane; pentan-1-ol; sodium; cyclohexanone; aluminum tri-tert-butoxide;

upstream raw materials:

dehydroeburiconic acid

aluminum isopropoxide

Downstream raw materials:

3α-acetoxy-eburica-7,9(11),24(28)-trien-21-oic acid

dehydroeburicoic acid monoacetate