Nagilactone C

Base Information

• Chemical Name: Nagilactone C
• CAS No.: 24338-53-2
• Molecular Formula: C19H22 O7
• Molecular Weight: 362.37
• NSC Number: 117884
• UNII: 38MVA8L9PT
• DSSTox Substance ID: DTXSID401019971
• Wikidata: Q76005848
• ChEMBL ID: CHEMBL487996
• Mol file: 24338-53-2.mol

Synonyms:nagilactone A of nagilactone C;nagilactone B of nagilactone C;nagilactone C;nagilactone D of nagilactone C;nagilactone E of nagilactone C;nagilactone F of nagilactone C

Chemical Property of Nagilactone C

Chemical Property:

• Vapor Pressure: 8.06E-18mmHg at 25°C
• Melting Point: 290℃
• Boiling Point: 617.3°C at 760 mmHg
• PKA: 12.31±0.70(Predicted)
• Flash Point: 230.4°C
• PSA: 109.50000
• Density: 1.44g/cm³
• LogP: 0.75770
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 362.13655304
• Heavy Atom Count: 26
• Complexity: 811

Purity/Quality:

99%min ^*data from raw suppliers

NagilactoneC ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O
• Isomeric SMILES: CC(C)C1=C2[C@H]([C@@H]3[C@H]4[C@]([C@H]([C@@H]5[C@H]([C@@]4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O