3-Hydroxyolean-12-en-28-oic acid
Basic information
- Standard SMILES
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1- InChIKey
MIJYXULNPSFWEK-UHFFFAOYSA-N- Molecular formula
- C30H48O3
- Average molar mass
- 456.7 g/mol
- Monoisotopic mass
- 456.36034539
Overview
oleanolic acid has been reported in Salvia miltiorrhiza, Sideritis candicans, and other organisms with data available.
Names & identifiers
- Preferred name
- 3-Hydroxyolean-12-en-28-oic acid
- IUPAC
- 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Names & synonyms
3-Hydroxyolean-12-en-28-oic acid10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acidRefChem:279963Araligenin10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid856832-77-4NSC 114945Olean-12-en-28-oic acid, 3.beta.-hydroxy-Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-MLS006011427SCHEMBL13395360DTXSID30862072
Show more names
MIJYXULNPSFWEK-UHFFFAOYSA-NWMB53077BBL009966EBC-12092s2334STK801366AKOS005613008SMR004703243
Database identifiers
- PubChem CID
- 619166
- DTXSID
DTXSID30862072
Properties
Computed structural properties
- XLogP
- 7.5
- 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
- 885
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Related reactions
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Compound notes
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