Cerberin

Base Information

• Chemical Name: Cerberin
• CAS No.: 25633-33-4
• Deprecated CAS: 1401-88-3,25633-34-5
• Molecular Formula: C32H48 O9
• Molecular Weight: 576.728
• UNII: KW5A155S64
• DSSTox Substance ID: DTXSID30893922
• Nikkaji Number: J18.711I
• Wikipedia: Cerberin
• Wikidata: Q5063899
• Metabolomics Workbench ID: 142623
• ChEMBL ID: CHEMBL554969
• Mol file: 25633-33-4.mol

Synonyms:cerberin

Chemical Property of Cerberin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 212-215 °C
• Boiling Point: 693.7°Cat760mmHg
• PKA: 13.06±0.70(Predicted)
• Flash Point: 217.2°C
• PSA: 120.75000
• Density: 1.26g/cm³
• LogP: 3.68100
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 576.32983310
• Heavy Atom Count: 41
• Complexity: 1080

Purity/Quality:

99% ^*data from raw suppliers

2''-Acetylneriifolin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
• Uses: 2''-Acetylneriifolin is a cytotoxic cardenolide glycoside with possible cytotoxic activities against oral human epidermoid carcinoma (KB), human breast cancer cell (BC) and human small cells lung cancer (NCI-H187).

Technology Process of Cerberin

There total 5 articles about Cerberin 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:

→ Acetylneriifolin (25633-33-4)

Guidance literature:

nach enzymatischer Hydrolyse;

DOI:10.1002/ardp.18932310103

Reference yield:

→ Acetylneriifolin (25633-33-4)

Guidance literature:

nach enzymatischer Hydrolyse;

DOI:10.1002/hlca.19520350512

Reference yield:

→ Acetylneriifolin (25633-33-4)

Guidance literature:

nach enzymatischer Hydrolyse;

DOI:10.1002/hlca.19480310605

Downstream raw materials:

neriifolin

Refernces

• 1、 Cruz,Garcia,Iriarte,Muchowski,Regla. "Seeds of Thevetia species as an alternative source of digitoxigenin". . p. 3580 - 3584. Retrieved 2007/10/04.