Oleoyl-estrone

Base Information

• Chemical Name: Oleoyl-estrone
• CAS No.: 180003-17-2
• Molecular Formula: C36H54 O3
• Molecular Weight: 534.81
• UNII: 64R56KMG1Z
• DSSTox Substance ID: DTXSID8041086
• Nikkaji Number: J898.225B
• Wikipedia: Oleoyl-estrone
• Wikidata: Q3351791
• Metabolomics Workbench ID: 149300
• Mol file: 180003-17-2.mol

Synonyms:Merlin-2;oleoyl estrone;oleoyl-estrone

Chemical Property of Oleoyl-estrone

Chemical Property:

• Boiling Point: 644.2±55.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.010
• LogP: 0.00000
• XLogP3: 10.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 534.40729558
• Heavy Atom Count: 39
• Complexity: 786

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCC=CCCCCCCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C
• Recent ClinicalTrials: Phase 2a Randomized, Double-Blind Study of Oleoyl-Estrone in Male Morbidly Obese Adults

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