Plethoryl

Base Information

• Chemical Name: Plethoryl
• CAS No.: 100216-56-6
• Molecular Formula: C58H63I3O11
• Molecular Weight: 1316.82763
• Mol file: 100216-56-6.mol

Synonyms:Plethoryl;tiratricol-cyclovalone-retinol

Chemical Property of Plethoryl

Chemical Property:

• Vapor Pressure: 8.95E-15mmHg at 25°C
• Boiling Point: 595.5°Cat760mmHg
• Flash Point: 210.2°C
• PSA: 169.05000
• Density: g/cm³
• LogP: 15.04150
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 15
• Exact Mass: 1316.1505
• Heavy Atom Count: 72
• Complexity: 1480

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C.COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O.C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C.COC1=C(C=CC(=C1)/C=C/2\C(=O)/C(=C\C3=CC(=C(C=C3)O)OC)/CCC2)O.C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O