CID 16099421

Base Information

• Chemical Name: CID 16099421
• CAS No.: 925932-10-1
• Molecular Formula: C30H50O5
• Molecular Weight: 490.71500
• DSSTox Substance ID: DTXSID401317608
• Metabolomics Workbench ID: 138925
• Wikidata: Q105178647
• Mol file: 925932-10-1.mol

Synonyms:secaubrytriol

Chemical Property of CID 16099421

Chemical Property:

• Boiling Point: 637.5±30.0 °C(Predicted)
• PKA: 4.78±0.10(Predicted)
• PSA: 97.99000
• Density: 1.14±0.1 g/cm3(Predicted)
• LogP: 5.56690
• XLogP3: 6.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 490.36582469
• Heavy Atom Count: 35
• Complexity: 852

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)CO)C)C
• Isomeric SMILES: C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@H]([C@]3(C4)CCC(=O)O)C(=C)CO)C)C