23-Deethyl-2-demethyl-2-methoxy-23-methylhygrolidin

Base Information

• Chemical Name: 23-Deethyl-2-demethyl-2-methoxy-23-methylhygrolidin
• CAS No.: 142386-67-2
• Molecular Formula: C37H56 O12
• Molecular Weight: 692.83334
• Mol file: 142386-67-2.mol

Synonyms:PD 118576-A1;PD-118,576-A1

Chemical Property of 23-Deethyl-2-demethyl-2-methoxy-23-methylhygrolidin

Chemical Property:

• Vapor Pressure: 2.65E-32mmHg at 25°C
• Boiling Point: 834.2°C at 760 mmHg
• Flash Point: 249.7°C
• PSA: 178.28000
• Density: 1.2g/cm³
• LogP: 4.24830
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 10
• Exact Mass: 692.37717722
• Heavy Atom Count: 49
• Complexity: 1300

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C)C)OC(=O)C=CC(=O)O)O)O)OC)C
• Isomeric SMILES: CC1C/C(=C/C=C\C(C(OC(=O)/C(=C\C(=C\C(C1O)C)\C)/OC)C(C)C(C(C)C2(CC(C(C(O2)C)C)OC(=O)/C=C/C(=O)O)O)O)OC)/C