Olean-12-en-19-one, 3,22,23-trihydroxy-, (3beta,4beta,22beta)-
Basic information
- CAS
111150-31-3- Standard SMILES
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C=O)CC[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@H]2C1- InChIKey
UEFNEBDHHWTAJT-YRFBWVEFSA-N- Molecular formula
- C30H48O4
- Average molar mass
- 472.7 g/mol
- Monoisotopic mass
- 472.35526001
Names & identifiers
- Preferred name
- Olean-12-en-19-one, 3,22,23-trihydroxy-, (3beta,4beta,22beta)-
- IUPAC
- (4R,4aR,6aS,6aS,6bR,9S,10S,12aS,14bR)-4,10-dihydroxy-9-(hydroxymethyl)-2,2,4a,6a,6b,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-12a-carbaldehyde
Names & synonyms
111150-31-3Olean-12-en-19-one, 3,22,23-trihydroxy-, (3beta,4beta,22beta)-DTXSID809120163,22,23-Trihydroxyolean-12-en-25-al(5xi)-3beta,22beta,24-Trihydroxy-18alpha-olean-12-en-25-al
Database identifiers
- CAS
111150-31-3- PubChem CID
- 183175
- DTXSID
DTXSID80912016
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 894
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Compound notes
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