Squamotacin

Base Information

• Chemical Name: Squamotacin
• CAS No.: 174158-66-8
• Molecular Formula: C37H66O7
• Molecular Weight: 622.9157
• Nikkaji Number: J866.362I
• Metabolomics Workbench ID: 143424
• ChEMBL ID: CHEMBL64008
• Mol file: 174158-66-8.mol

Synonyms:squamotacin

Chemical Property of Squamotacin

Chemical Property:

• Boiling Point: 745.5°Cat760mmHg
• Flash Point: 220.3°C
• Density: 1.054g/cm³
• XLogP3: 9.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 25
• Exact Mass: 622.48085444
• Heavy Atom Count: 44
• Complexity: 801

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
• Isomeric SMILES: CCCCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O