20beta-Hydroxyursolic acid

Base Information

• Chemical Name: 20beta-Hydroxyursolic acid
• CAS No.: 58213-73-3
• Molecular Formula: C30H48O4
• Molecular Weight: 472.7
• DSSTox Substance ID: DTXSID701313481
• Nikkaji Number: J14.654D
• Wikidata: Q105277803
• Mol file: 58213-73-3.mol

Synonyms:20beta-hydroxyursolic acid;58213-73-3;CHEBI:168033;DTXSID701313481;(1R,2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Chemical Property of 20beta-Hydroxyursolic acid

Chemical Property:

• Melting Point: 277 - 282 °C
• PSA: 77.76000
• LogP: 6.20440
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 472.35526001
• Heavy Atom Count: 34
• Complexity: 923

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2C3=CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1(C)O)C(=O)O)C)C)(C)C)O)C
• Isomeric SMILES: C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC[C@]1(C)O)C(=O)O)C)C)(C)C)O)C