18,21-Aldosterone diacetate 3-carboxymethyloxime

Base Information

• Chemical Name: 18,21-Aldosterone diacetate 3-carboxymethyloxime
• CAS No.: 29415-05-2
• Molecular Formula: C27H35 N O9
• Molecular Weight: 517.5681
• Mol file: 29415-05-2.mol

Synonyms:18,21-aldosterone diacetate 3-carboxymethyloxime

Chemical Property of 18,21-Aldosterone diacetate 3-carboxymethyloxime

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 668.445°C at 760 mmHg
• Flash Point: 358.063°C
• Density: 1.482g/cm³
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 517.23118169
• Heavy Atom Count: 37
• Complexity: 1070

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC(=O)C1CCC2C13CC(C4C2CCC5=CC(=NOCC(=O)O)CCC45C)OC3OC(=O)C
• Isomeric SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2C13C[C@@H]([C@H]4[C@H]2CCC5=C/C(=N\OCC(=O)O)/CC[C@]45C)OC3OC(=O)C