Ursadiol

Base Information

• Chemical Name: Ursadiol
• CAS No.: 37384-13-7
• Molecular Formula: C30H50O2
• Molecular Weight: 442.7168
• UNII: 3D089V7L0K
• DSSTox Substance ID: DTXSID00190819
• Metabolomics Workbench ID: 154959
• Nikkaji Number: J19.165E
• RXCUI: 2045735
• Wikidata: Q27257046
• Mol file: 37384-13-7.mol

Synonyms:Ursadiol;Coflodiol;UNII-3D089V7L0K;3D089V7L0K;37384-13-7;Olean-13(18)-ene-3,16-diol, (3beta,16beta)-;DTXSID00190819;Ursosiol;DTXCID90113310;DB14555;(3S,4aR,6aR,6bS,8S,8aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicene-3,8-diol;Olean-13(18)-ene-3,16-diol, (3b,16b)-;Q27257046;OLEAN-13(18)-ENE-3,16-DIOL, (3.BETA.,16.BETA.)-

Chemical Property of Ursadiol

Chemical Property:

• PSA: 40.46000
• LogP: 7.28380
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 442.381080833
• Heavy Atom Count: 32
• Complexity: 838

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2(C(CC3(C(=C2C1)CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)O)C)C
• Isomeric SMILES: C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CCC4=C5CC(CC[C@@]5([C@H](C[C@]43C)O)C)(C)C)C)(C)C)O