Nagilactone A

Base Information

• Chemical Name: Nagilactone A
• CAS No.: 19891-50-0
• Molecular Formula: C19H24O6
• Molecular Weight: 348.3903
• DSSTox Substance ID: DTXSID40173666
• Nikkaji Number: J15.866F
• Wikidata: Q83043712
• Metabolomics Workbench ID: 144002
• ChEMBL ID: CHEMBL4213981
• Mol file: 19891-50-0.mol

Synonyms:Nagilactone A;19891-50-0;4H,9H-Furo(2',3',4':4,5)naphtho(2,1-c)pyran-4,9-dione, 1,2,3,3a,5a,6,10b,10c-oxtahydro-1,6-dihydroxy-3a,10b-dimethyl-7-(1-methylethyl)-, (1R-(1alpha,3abeta,5abeta,6alpha,10balpha,10cbeta))-;CHEMBL4213981;DTXSID40173666

Chemical Property of Nagilactone A

Chemical Property:

• Vapor Pressure: 4.32E-18mmHg at 25°C
• Melting Point: 305 °C
• Boiling Point: 622.3°Cat760mmHg
• PKA: 12.36±0.70(Predicted)
• Flash Point: 226.4°C
• PSA: 96.97000
• Density: 1.35g/cm³
• LogP: 1.77050
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 348.15728848
• Heavy Atom Count: 25
• Complexity: 734

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C2C(C3C4C(CCC(C4(C2=CC(=O)O1)C)O)(C(=O)O3)C)O
• Isomeric SMILES: CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@](CC[C@H]([C@@]4(C2=CC(=O)O1)C)O)(C(=O)O3)C)O

Technology Process of Nagilactone A

There total 1 articles about Nagilactone A 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:

nagilactoside E → D-Glucose (2280-44-6) + nagilactone A (19891-50-0) + nagilactoside B

Guidance literature:

With sodium acetate; acetic acid; cellulase; In acetic acid; at 40 ℃; for 0.5h; Product distribution;

DOI:10.1016/0031-9422(95)94785-L

Refernces