Ursolicacid
Basic information
- Standard SMILES
CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC[C@@H](O)C(C)(C)C5CCC43C)C2C1C- InChIKey
WCGUUGGRBIKTOS-GZUNIXTQSA-N- Molecular formula
- C30H48O3
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.3603454
Names & identifiers
- Preferred name
- Ursolicacid
- IUPAC
- (10R)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Names & synonyms
UrsolicacidAKOS015965499AC-8029
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 874
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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