Basic information
- CAS
650-69-1- Standard SMILES
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)C=O)C(C)(C)CC(O)C1- InChIKey
AVPAEFHIEZLSLZ-STNACPSUSA-N- Molecular formula
- C30H40O2
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.30283051
Names & identifiers
- Preferred name
- b-Citraurin
- IUPAC
- (2E,4E,6E,8E,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal
Names & synonyms
b-CitraurinDTXSID3013586333-Hydroxy-8'-apo-b-caroten-8'-al
Database identifiers
- CAS
650-69-1- PubChem CID
- 131751663
- DTXSID
DTXSID301358633
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 922
Experimental & physicochemical properties
Melting Point146 - 147 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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