3-Epidehydropachymic acid

Base Information

• Chemical Name: 3-Epidehydropachymic acid
• CAS No.: 168293-15-0
• Molecular Formula: C₃₃H₅₀O₅
• Molecular Weight: 526.757
• ChEMBL ID: CHEMBL2203609
• DSSTox Substance ID: DTXSID601312385
• Metabolomics Workbench ID: 115142
• Nikkaji Number: J3.377.107J
• Wikidata: Q77281180
• Mol file: 168293-15-0.mol

Synonyms:3-Epidehydropachymic acid;168293-15-0;(2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid;CHEMBL2203609;CHEBI:201084;DTXSID601312385;HY-N8390;AKOS040760211;FS-7948;1ST180329;CS-0143852

Chemical Property of 3-Epidehydropachymic acid

Chemical Property:

• Melting Point: 276-278 °C
• Boiling Point: 629.3±55.0 °C(Predicted)
• PKA: 4.63±0.10(Predicted)
• Density: 1.11±0.1 g/cm3(Predicted)
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 526.36582469
• Heavy Atom Count: 38
• Complexity: 1070

Purity/Quality:

≥98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C)O)C(=O)O
• Isomeric SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O

Technology Process of 3-Epidehydropachymic acid

There total 2 articles about 3-Epidehydropachymic 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:

3-epidehydropachymic acid phthalimidomethyl ester → 3-epi-dehydropachymic acid (168293-15-0)

Guidance literature:

With sodium hydroxide; In ethanol; chloroform; Ambient temperature;

DOI:10.1016/0031-9422(95)00182-7

Reference yield:

dehydropachymic acid phthalimidomethyl ester → dehydropachymic acid (77012-31-8,168293-15-0)

Guidance literature:

With sodium hydroxide; In ethanol; chloroform; Ambient temperature;

DOI:10.1016/0031-9422(95)00182-7