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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Kanonisches Lächeln | C/C(=C\CO)/C=C/C=C(\C)/C=C/C12C(CCCC1(O2)C)(C)C |
|---|---|
| IUPAC Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)nona-2,4,6,8-tetraen-1-ol |
| InChIKey | XLRQASJLHKRLKG-JVSJJYLASA-N |
| INCHI | 1S/C20H30O2/c1-16(8-6-9-17(2)11-15-21)10-14-20-18(3,4)12-7-13-19(20,5)22-20/h6,8-11,14,21H,7,12-13,15H2,1-5H3/b9-6+,14-10+,16-8+,17-11+ |
| Molecular Weight | 302.500 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Retinoids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Retinoids |
| Alternative Parents | Diterpenoids Fatty alcohols Oxepanes Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Diterpenoid - Retinoid skeleton - Fatty alcohol - Oxepane - Fatty acyl - Oxacycle - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Alcohol - Primary alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. |
| External Descriptors | Not available |
| Molecular Weight | 302.500 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 302.225 Da |
| Monoisotopic Mass | 302.225 Da |
| Topological Polar Surface Area | 32.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 536.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 4 |
| Covalently-Bonded Unit Count | 1 |