8,8a-Deoxyoleandolide

Base Information

• Chemical Name: 8,8a-Deoxyoleandolide
• CAS No.: 53428-54-9
• Molecular Formula: C20H36 O6
• Molecular Weight: 372.5
• DSSTox Substance ID: DTXSID80201593
• Nikkaji Number: J1.338.841E
• Wikidata: Q27110104
• Metabolomics Workbench ID: 21302
• Mol file: 53428-54-9.mol

Synonyms:8,8a-deoxyoleandolide;8-methyloleandolide

Chemical Property of 8,8a-Deoxyoleandolide

Chemical Property:

• Vapor Pressure: 1.84E-14mmHg at 25°C
• Boiling Point: 551.5°Cat760mmHg
• Flash Point: 186.3°C
• PSA: 104.06000
• Density: 1.025g/cm³
• LogP: 1.79020
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 372.25118886
• Heavy Atom Count: 26
• Complexity: 493

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(C(=O)C(C(C(C(OC(=O)C(C(C(C1O)C)O)C)C)C)O)C)C
• Isomeric SMILES: C[C@H]1C[C@H](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O)C)O)C)C)C)O)C)C

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