12-Oxo-5beta-cholan-24-oic Acid

Base Information

• Chemical Name: 12-Oxo-5beta-cholan-24-oic Acid
• CAS No.: 63042-31-9
• Molecular Formula: C₂₄H₃₈O₃
• Molecular Weight: 374.564
• DSSTox Substance ID: DTXSID401296054
• Nikkaji Number: J1.794.091K
• Wikidata: Q63399437
• Metabolomics Workbench ID: 36373

Synonyms:12-Oxo-5beta-cholan-24-oic Acid;12-Oxo-5b-cholan-24-ic acid;DTXSID401296054;12-Oxo-5beta-cholane-24-oic acid;LMST04010132;Cholan-24-oic acid, 12-oxo-, (5beta)-;Q63399437;63042-31-9

Chemical Property of 12-Oxo-5beta-cholan-24-oic Acid

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 374.28209507
• Heavy Atom Count: 27
• Complexity: 613

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2CCC4C3(CCCC4)C)C
• Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

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