Pyrichalasin H

Base Information

• Chemical Name: Pyrichalasin H
• CAS No.: 111631-97-1
• Molecular Formula: C31H41 N O6
• Molecular Weight: 523.6603
• Metabolomics Workbench ID: 161195
• Mol file: 111631-97-1.mol

Synonyms:Pyrichalasin H;PYRICHALASINH;111631-97-1;[(3E,9E)-5,12-dihydroxy-16-[(4-methoxyphenyl)methyl]-5,7,14-trimethyl-13-methylidene-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate;1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-6,12-dihydroxy-3-((4-methoxyphenyl)methyl)-4,10,12-trimethyl-5-methylene-, (3R,3aS,4R,6R,6aS,7E,10R,12S,13E,15S,15aS)-

Chemical Property of Pyrichalasin H

Chemical Property:

• Vapor Pressure: 1.07E-20mmHg at 25°C
• Boiling Point: 702.2°Cat760mmHg
• Flash Point: 378.5°C
• PSA: 108.58000
• Density: 1.2g/cm³
• LogP: 4.02260
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 523.29338803
• Heavy Atom Count: 38
• Complexity: 967

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=C(C=C4)OC)C)O
• Isomeric SMILES: CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C/C(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=C(C=C4)OC)C)O