Ergosta-7,22-dien-17-ol-3-one

Base Information

• Chemical Name: Ergosta-7,22-dien-17-ol-3-one
• CAS No.: 118230-93-6
• Molecular Formula: C28H44 O2
• Molecular Weight: 412.65
• Mol file: 118230-93-6.mol

Synonyms:EDOO;ergosta-7,22-dien-17-ol-3-one

Chemical Property of Ergosta-7,22-dien-17-ol-3-one

Chemical Property:

• Vapor Pressure: 1.95E-12mmHg at 25°C
• Boiling Point: 507.8°Cat760mmHg
• PKA: 14.67±0.60(Predicted)
• Flash Point: 215°C
• PSA: 37.30000
• Density: 1.03g/cm³
• LogP: 6.73380
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 412.334130642
• Heavy Atom Count: 30
• Complexity: 748

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C)C=CC(C)C1(CCC2C1(CCC3C2=CCC4C3(CCC(=O)C4)C)C)O
• Isomeric SMILES: C[C@@H](/C=C/[C@@H](C)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3C2=CCC4[C@@]3(CCC(=O)C4)C)C)O)C(C)C