Pulicaral
Basic information
- CAS
119767-05-4- Standard SMILES
C[C@@H]1CCC23C(=O)CCC12C(C=O)=CC3(C)C- InChIKey
ZVIGMBOEDUKCMK-SFNBMPIDSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Overview
Pulicaral has been reported in Pulicaria paludosa with data available.
Names & identifiers
- Preferred name
- Pulicaral
- IUPAC
- (9R)-4,4,9-trimethyl-6-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehyde
Names & synonyms
Pulicaral119767-05-41H,4H-3a,6a-Propanopentalene-3-carboxaldehyde, 5,6-dihydro-1,1,4-trimethyl-9-oxo-, (3aR-(3aalpha,4alpha,6aalpha))-(9R)-4,4,9-trimethyl-6-oxotricyclo(3.3.3.01,5)undec-2-ene-2-carbaldehyde(9R)-4,4,9-trimethyl-6-oxotricyclo[3.3.3.01,5]undec-2-ene-2-carbaldehydeRefChem:177205(4r)-1,1,4-trimethyl-7-oxo-5,6-dihydro-1h,4h-3a,6a-propanopentalene-3-carbaldehydeDTXSID609231051,1,4-Trimethyl-7-oxo-5,6-dihydro-1H,4H-3a,6a-propanopentalene-3-carbaldehyde
Database identifiers
- CAS
119767-05-4- PubChem CID
- 189696
- DTXSID
DTXSID60923105
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 446
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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