I(2),Imicro-Caroten-3a(2)-one, 3-hydroxy-, cis-
Basic information
- CAS
143167-27-5- Standard SMILES
CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1C(C)=CC(=O)CC1(C)C- InChIKey
OABQIJAIRYEICK-UHFFFAOYSA-N- Molecular formula
- C40H54O2
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 566.41238096
Names & identifiers
- Preferred name
- I(2),Imicro-Caroten-3a(2)-one, 3-hydroxy-, cis-
- IUPAC
- 4-[18-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-2-en-1-one
Names & synonyms
143167-27-5DTXSID101289741NCI60_039432I(2),Imicro-Caroten-3a(2)-one, 3-hydroxy-, cis-3'-Hydroxy-4,5-didehydro-5,6-dihydro-beta,beta-caroten-3-one
Database identifiers
- CAS
143167-27-5- PubChem CID
- 400712
- DTXSID
DTXSID101289741
Properties
Computed structural properties
- XLogP
- 10.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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