Lychnostatin 1

Base Information

• Chemical Name: Lychnostatin 1
• CAS No.: 128700-83-4
• Molecular Formula: C21H28 O8
• Molecular Weight: 408.4422
• DSSTox Substance ID: DTXSID70155970
• Wikidata: Q27135216
• Metabolomics Workbench ID: 64668
• ChEMBL ID: CHEMBL457258
• Mol file: 128700-83-4.mol

Synonyms:lychnostatin 1

Chemical Property of Lychnostatin 1

Chemical Property:

• Vapor Pressure: 3.96E-15mmHg at 25°C
• Boiling Point: 565.2°Cat760mmHg
• Flash Point: 192.3°C
• PSA: 116.20000
• Density: 1.22g/cm³
• LogP: 1.64390
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 408.17841785
• Heavy Atom Count: 29
• Complexity: 754

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=O)C(CC(C2C(C1O)OC(=O)C2=C)OC(=O)C(=C)C)(C)OC(=O)C
• Isomeric SMILES: C[C@H]1CCC(=O)[C@](C[C@@H]([C@@H]2[C@@H]([C@H]1O)OC(=O)C2=C)OC(=O)C(=C)C)(C)OC(=O)C