Cymegesolate

Base Information

• Chemical Name: Cymegesolate
• CAS No.: 72648-88-5
• Deprecated CAS: 79679-45-1
• Molecular Formula: C32H46 O5
• Molecular Weight: 510.71
• UNII: 4D9TFH8PLX
• DSSTox Substance ID: DTXSID70993490
• Nikkaji Number: J39.494G
• Wikipedia: Cymegesolate
• Mol file: 72648-88-5.mol

Synonyms:cymegesolate;progestagen I

Chemical Property of Cymegesolate

Chemical Property:

• Vapor Pressure: 7.79E-14mmHg at 25°C
• Refractive Index: 1.547
• Boiling Point: 588.6°C at 760 mmHg
• Flash Point: 245.2°C
• PSA: 69.67000
• Density: 1.13g/cm³
• LogP: 6.88840
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 510.33452456
• Heavy Atom Count: 37
• Complexity: 1020

Purity/Quality:

CYMEGESOLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(CC4)OC(=O)CCC5CCCC5)C
• Isomeric SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=C[C@H](CC4)OC(=O)CCC5CCCC5)C