Olean-12-ene-3,21,22-triol, (3beta,21beta,22beta)-
Basic information
- CAS
83718-68-7- Standard SMILES
CC1(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O- InChIKey
KHUOEBOCRCJBCG-SILLFBDBSA-N- Molecular formula
- C30H50O3
- Average molar mass
- 458.7 g/mol
- Monoisotopic mass
- 458.37599545
Names & identifiers
- Preferred name
- Olean-12-ene-3,21,22-triol, (3beta,21beta,22beta)-
- IUPAC
- (3R,4S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-2,2,4a,6a,6b,9,9,12a-octamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,10-triol
Names & synonyms
83718-68-7Olean-12-ene-3,21,22-triol, (3beta,21beta,22beta)-DTXSID201003726Olean-12-ene-3,21,22-triol(5xi)-18alpha-Olean-12-ene-3beta,21beta,22beta-triol
Database identifiers
- CAS
83718-68-7- PubChem CID
- 158563
- DTXSID
DTXSID201003726
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 859
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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