Cholest-5-en-3beta-yl p-butoxybenzoate

Base Information

• Chemical Name: Cholest-5-en-3beta-yl p-butoxybenzoate
• CAS No.: 41484-52-0
• Molecular Formula: C38H58 O3
• Molecular Weight: 562.86532
• European Community (EC) Number: 255-394-9
• DSSTox Substance ID: DTXSID90961752
• Mol file: 41484-52-0.mol

Synonyms:Cholest-5-en-3beta-yl p-butoxybenzoate;EINECS 255-394-9;41484-52-0;C38H58O3;DTXSID90961752;Cholest-5-en-3-yl 4-butoxybenzoate;C38-H58-O3

Chemical Property of Cholest-5-en-3beta-yl p-butoxybenzoate

Chemical Property:

• Boiling Point: 628.3°Cat760mmHg
• Flash Point: 277°C
• PSA: 35.53000
• Density: 1.03g/cm³
• LogP: 10.43230
• XLogP3: 12
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 562.43859571
• Heavy Atom Count: 41
• Complexity: 899

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC1=CC=C(C=C1)C(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C
• Isomeric SMILES: CCCCOC1=CC=C(C=C1)C(=O)O[C@H]2CC[C@@]3(C4CC[C@@]5([C@H](CCC5C4CC=C3C2)[C@H](C)CCCC(C)C)C)C