Squamocin G

Base Information

• Chemical Name: Squamocin G
• CAS No.: 123123-32-0
• Molecular Formula: C37H66 O7
• Molecular Weight: 622.9157
• DSSTox Substance ID: DTXSID501030029
• Nikkaji Number: J674.622E
• Wikipedia: Bullatacin
• Metabolomics Workbench ID: 130019
• ChEMBL ID: CHEMBL281475
• Mol file: 123123-32-0.mol

Synonyms:asimicin;bullatacin;rolliniastatin-1;rolliniastatin-2

Chemical Property of Squamocin G

Chemical Property:

• PSA: 105.45000
• LogP: 7.85790
• 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:

≥98% （HPLC） ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O
• Isomeric SMILES: CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]2CC[C@@H](O2)[C@@H](CCCCCCCCCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O