Stemphone

Base Information

• Chemical Name: Stemphone
• CAS No.: 54854-92-1
• Molecular Formula: C30H42 O8
• Molecular Weight: 530.65
• Wikidata: Q77370971
• Metabolomics Workbench ID: 114088
• ChEMBL ID: CHEMBL2288178
• Mol file: 54854-92-1.mol

Synonyms:stemphone

Chemical Property of Stemphone

Chemical Property:

• Vapor Pressure: 8.84E-20mmHg at 25°C
• Boiling Point: 652.3°C at 760 mmHg
• Flash Point: 206°C
• PSA: 119.36000
• Density: 1.23g/cm³
• LogP: 3.73730
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 530.28796829
• Heavy Atom Count: 38
• Complexity: 1130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2O)(CCC(O4)C(C)(C)O)C)C)OC(=O)C
• Isomeric SMILES: C/C=C(\C)/[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C