Oleanolic acid derivative 1

Base Information

• Chemical Name: Oleanolic acid derivative 1
• CAS No.: 1724-18-1
• Molecular Formula: C31H48O2
• DSSTox Substance ID: DTXSID201099854
• Nikkaji Number: J988.052F
• Mol file: 1724-18-1.mol

Synonyms:Oleanolic acid derivative 1;1724-18-1;methyl (3aR,5aR,5bS,7aS,11aS,13aR,13bS)-5a,5b,10,10,13b-pentamethyl-3-propan-2-ylidene-2,3a,4,5,6,7,8,9,11,11a,13,13a-dodecahydro-1H-cyclopenta[a]chrysene-7a-carboxylate;Oleanolicacidderivative1;DTXSID201099854;CS-6090;HY-18002;(5alpha)-3,5-Cyclo-4,5-secooleana-3,12-diene-28-oic acid methyl ester;Benzo[3,4]-18-norpregna-3,5,17(20)-triene-3(2'H)-carboxylic acid, 3',4',5',6'-tetrahydro-4',4',9,14,20-pentamethyl-, methyl ester, (3beta,4beta,8alpha,9beta,10alpha,13alpha,14beta)-

Chemical Property of Oleanolic acid derivative 1

Chemical Property:

• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 452.365430770
• Heavy Atom Count: 33
• Complexity: 919

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=C1CCC2(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C(=O)OC)C)C)C)C
• Isomeric SMILES: CC(=C1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)C)C

Technology Process of Oleanolic acid derivative 1

There total 14 articles about Oleanolic acid derivative 1 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: 80.0%

oleanolic acid methyl ester (1724-17-0,73584-64-2) → methyl 3(4)->5-abeo-3,12-oleandien-28-oate (1724-18-1) + methyl 3(4)->5-abeo-3(5),12-oleandien-28-oate

Guidance literature:

With phosphorus pentachloride; In 1,1,2,2-tetrachloroethylene; at 20 ℃; for 0.5h;

Reference yield: 30.0%

oleanolic acid methyl ester (1724-17-0,73584-64-2) → methyl 2,12-oleandien-28-oate (1896-72-6) + methyl 3(4)->5-abeo-3,12-oleandien-28-oate (1724-18-1) + methyl 3(4)->5-abeo-3(5),12-oleandien-28-oate + methyl 3(4)->5-abeo-4(24),12-oleandien-28-oate

Guidance literature:

With pyridine; methanesulfonyl chloride; at 50 ℃; for 24h; Further byproducts given;

Reference yield:

oleanolic acid methyl ester (1724-17-0,73584-64-2) → methyl 3(4)->5-abeo-3,12-oleandien-28-oate (1724-18-1)

Guidance literature:

upstream raw materials:

diazomethane

oleanolic acid methyl ester

diethyl ether

phosphorus pentachloride

Downstream raw materials:

(3aR,5aR,5bS,7aS,11aS,13aR,13bR)-5a,5b,10,10,13b-Pentamethyl-3-oxo-1,2,3,3a,4,5,5a,5b,6,7,8,9,10,11,11a,13,13a,13b-octadecahydro-cyclopenta[a]chrysene-7a-carboxylic acid methyl ester

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