Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-

Base Information

• Chemical Name: Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-
• CAS No.: 31077-78-8
• Molecular Formula: C37H54 O4
• Molecular Weight: 562.833
• DSSTox Substance ID: DTXSID50953178

Synonyms:31077-78-8;Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-;C37H54O4;C37-H54-O4;DTXSID50953178;22-Hydroxy-4-methyl-6-oxostigmast-7-en-3-yl benzoate

Chemical Property of Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-

Chemical Property:

• Vapor Pressure: 1.07E-17mmHg at 25°C
• Boiling Point: 648.4°Cat760mmHg
• Flash Point: 193.3°C
• PSA: 63.60000
• Density: 1.09g/cm³
• LogP: 8.28530
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 562.40221020
• Heavy Atom Count: 41
• Complexity: 993

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC(C(C)C1CCC2C1(CCC3C2=CC(=O)C4C3(CCC(C4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C
• Isomeric SMILES: CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2C1(CC[C@H]3C2=CC(=O)[C@@H]4C3(CCC([C@H]4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C

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