3-Oxopomolic acid

Base Information

• Chemical Name: 3-Oxopomolic acid
• CAS No.: 13849-90-6
• Molecular Formula: C30H46O4
• Molecular Weight: 470.68
• DSSTox Substance ID: DTXSID601317909
• Nikkaji Number: J1.354.685A
• Wikidata: Q105144802
• Mol file: 13849-90-6.mol

Synonyms:3-Oxopomolic acid;13849-90-6;Pomonic acid;SCHEMBL20530406;DTXSID601317909;HY-N10788;AKOS040735910;FS-7816;CS-0636063;(1R,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid

Chemical Property of 3-Oxopomolic acid

Chemical Property:

• PSA: 74.60000
• LogP: 6.41260
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 470.33960994
• Heavy Atom Count: 34
• Complexity: 965

Purity/Quality:

99%, ^*data from raw suppliers

3-Oxopomolicacid ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1(C)O)C)C(=O)O
• Isomeric SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O

Technology Process of 3-Oxopomolic acid

There total 3 articles about 3-Oxopomolic 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: 43.5%

polnolic acid (13849-91-7,19870-71-4,109008-39-1,119067-01-5) → pomonic acid (13849-90-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane;

DOI:10.1080/14786419.2019.1655017

Reference yield:

→ Pomonsaeure (13849-90-6)

Guidance literature:

Pomonsaeuremethylester 1a , Jones-Reagenz;

DOI:10.1002/ardp.19743071211

Reference yield:

→ pomonic acid (13849-90-6)

Guidance literature:

Vanguerin, β-Glykosidase (isoliert als Methylester);

upstream raw materials:

polnolic acid

Downstream raw materials:

pomonic acid methyl ester

Refernces