Epoxynobilin

Base Information

• Chemical Name: Epoxynobilin
• CAS No.: 13323-48-3
• Molecular Formula: C20H26O6
• Molecular Weight: 362.4168
• DSSTox Substance ID: DTXSID10433966
• Nikkaji Number: J12.094D
• Wikidata: Q104395982
• Metabolomics Workbench ID: 138291
• ChEMBL ID: CHEMBL483867
• Mol file: 13323-48-3.mol

Synonyms:heliangin;leptocarpin;leptocarpin, (1aR-(1aR*,3S*,4Z,5aR*,8aR*,9R*(E),10aR*))-isomer;leptocarpin, (1aR-(1aR*,3S*,4Z,5aS*,8aR*,9S*,10aR*))-isomer

Chemical Property of Epoxynobilin

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 237-238℃
• Boiling Point: 539.6°Cat760mmHg
• PKA: 13.52±0.70(Predicted)
• Flash Point: 188.9°C
• PSA: 85.36000
• Density: 1.22g/cm³
• LogP: 2.22070
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 362.17293854
• Heavy Atom Count: 26
• Complexity: 705

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

Heliangin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OC1CC2(C(O2)CC(C(=CC3C1C(=C)C(=O)O3)C)O)C
• Isomeric SMILES: C/C=C(/C)\C(=O)O[C@@H]1C[C@@]2([C@H](O2)C[C@@H](/C(=C\[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C