Lychnostatin 2

Base Information

• Chemical Name: Lychnostatin 2
• CAS No.: 128700-84-5
• Molecular Formula: C21H28 O7
• Molecular Weight: 392.4428
• DSSTox Substance ID: DTXSID30155971
• Wikidata: Q27135217
• Metabolomics Workbench ID: 64669
• ChEMBL ID: CHEMBL465064
• Mol file: 128700-84-5.mol

Synonyms:lychnostatin 2

Chemical Property of Lychnostatin 2

Chemical Property:

• Vapor Pressure: 3.53E-11mmHg at 25°C
• Boiling Point: 526.6°Cat760mmHg
• Flash Point: 228°C
• PSA: 95.97000
• Density: 1.17g/cm³
• LogP: 2.67310
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 392.18350323
• Heavy Atom Count: 28
• Complexity: 722

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(=O)C(CC(C2C(C1)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](C1)OC(=O)C2=C)OC(=O)C(=C)C)(C)OC(=O)C