Tokinolide B

Base Information

• Chemical Name: Tokinolide B
• CAS No.: 112966-16-2
• Molecular Formula: C24H28 O4
• Molecular Weight: 380.48
• DSSTox Substance ID: DTXSID401318006
• Nikkaji Number: J470.617J
• Wikidata: Q104399103
• Mol file: 112966-16-2.mol

Synonyms:tokinolide B

Chemical Property of Tokinolide B

Chemical Property:

• Boiling Point: 644.2±55.0 °C(Predicted)
• PSA: 52.60000
• Density: 1.23±0.1 g/cm3(Predicted)
• LogP: 4.92210
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 380.19875937
• Heavy Atom Count: 28
• Complexity: 873

Purity/Quality:

98% ^*data from raw suppliers

Tokinolide B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC=C1C23CCC(C=C2C(=O)O1)C(C34C5=C(C=CCC5)C(=O)O4)CCC
• Isomeric SMILES: CCC/C=C\1/[C@]23CC[C@H](C=C2C(=O)O1)[C@H]([C@]34C5=C(C=CCC5)C(=O)O4)CCC