Neriifolin

Base Information

• Chemical Name: Neriifolin
• CAS No.: 466-07-9
• Molecular Formula: C30H46 O8
• Molecular Weight: 534.69
• European Community (EC) Number: 207-372-5
• UNII: 5RD2ADS9WV
• DSSTox Substance ID: DTXSID40881390
• Nikkaji Number: J12.074J
• Wikidata: Q27107523
• Metabolomics Workbench ID: 35235
• ChEMBL ID: CHEMBL501533
• Mol file: 466-07-9.mol

Synonyms:neriifolin;neriifolin, (3beta,5alpha)-isomer;neriifolin, beta-D-glucopyranosyl cpd (3beta,5beta)-isomer

Chemical Property of Neriifolin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 218-225°C
• Boiling Point: 700.1°Cat760mmHg
• Flash Point: 224.9°C
• PSA: 114.68000
• Density: 1.27g/cm³
• LogP: 3.11020
• Storage Temp.: 2-8°C
• Solubility.: Chloroform(Slightly), DMSO(Slightly), Methanol (Slightly), Water (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 534.31926842
• Heavy Atom Count: 38
• Complexity: 968

Purity/Quality:

≥98% ^*data from raw suppliers

17β-Neriifolin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T+
• Statements: 26/27/28
• Safety Statements: 22-36/37/39-45

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)O)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)O)OC)O
• Uses: 17β-neriifolin could be considered a candidate for the treatment of hepatocellular carcinoma. It can also work as an inhibitor of hERG channel trafficking.

Technology Process of Neriifolin

There total 7 articles about Neriifolin 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) → (20S,21S)-14,21-epoxy-3β-α-L-thevetopyranosyloxy-5β,14β-cardanolide + neriifolin (466-07-9)

Guidance literature:

With potassium hydroxide;

Reference yield:

→ neriifolin (466-07-9)

Guidance literature:

mit Hilfe eines Enzym-Praeparats aus Samen von Strophanthus kombe;

DOI:10.1002/hlca.19480310605

Reference yield:

→ neriifolin (466-07-9)

Guidance literature:

mit Hilfe eines Enzym-Praeparats aus Samen von Strophanthus kombe;

DOI:10.1002/hlca.19480310605

upstream raw materials:

Acetylneriifolin

Gitoxigenin 3-O-monodigitalosideglucoside, or digitalinum verum

Refernces