Phytolaccagenic acid

Base Information

• Chemical Name: Phytolaccagenic acid
• CAS No.: 54928-05-1
• Molecular Formula: C31H48 O6
• Molecular Weight: 516.719
• UNII: 4L8N263YKD
• DSSTox Substance ID: DTXSID50970264
• Nikkaji Number: J13.553D
• Wikidata: Q27259972
• Mol file: 54928-05-1.mol

Synonyms:phytolaccagenic acid

Chemical Property of Phytolaccagenic acid

Chemical Property:

• Vapor Pressure: 3.73E-18mmHg at 25°C
• Melting Point: 295～299℃
• Boiling Point: 623.4°C at 760 mmHg
• PKA: 4.41±0.70(Predicted)
• Flash Point: 194.1°C
• PSA: 104.06000
• Density: 1.19g/cm³
• LogP: 5.35910
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 516.34508925
• Heavy Atom Count: 37
• Complexity: 1020

Purity/Quality:

99% ^*data from raw suppliers

PhytoaccigenicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)CO)O)C)C)C2C1)C)C(=O)O)C(=O)OC
• Isomeric SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC
• Uses: Phytoaccigenic Acid is a saponin natural extract from quinoa seed which provides anti-fungal activity.

Technology Process of Phytolaccagenic acid

There total 1 articles about Phytolaccagenic 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:

→ Esculentinsaeure-30-methylester (54928-05-1)

Guidance literature:

Phytolaccosid A, sd.ethanol.HCl;