9-cis-Retinal - CAS 514-85-2
Catalog: |
BB027457 |
Product Name: |
9-cis-Retinal |
CAS: |
514-85-2 |
Synonyms: |
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
IUPAC Name: | (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
Description: | 9-cis-Retinal (CAS# 514-85-2) is an isomer of all-trans-Retinal (R240000). |
Molecular Weight: | 284.44 |
Molecular Formula: | C20H28O |
Canonical SMILES: | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C |
InChI: | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8-,17-13+ |
InChI Key: | NCYCYZXNIZJOKI-MKOSUFFBSA-N |
Boiling Point: | 421.4 °C at 760 mmHg |
Melting Point: | 56-58 °C (lit.) |
Purity: | 98 % |
Density: | 0.948 g/cm3 |
Appearance: | Pale-yellow solid |
Storage: | -20 °C |
LogP: | 5.71690 |
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PMID | Publication Date | Title | Journal |
23489423 | 20130301 | 9-cis retinoic acid is the ALDH1A1 product that stimulates melanogenesis | Experimental dermatology |
23261716 | 20130225 | New enzymatic assay for the AKR1C enzymes | Chemico-biological interactions |
22918645 | 20120919 | A microparticle/hydrogel combination drug-delivery system for sustained release of retinoids | Investigative ophthalmology & visual science |
22547062 | 20120615 | Melanopsin is highly resistant to light and chemical bleaching in vivo | The Journal of biological chemistry |
22090313 | 20120201 | Light-sensitive coupling of rhodopsin and melanopsin to G(i/o) and G(q) signal transduction in Caenorhabditis elegans | FASEB journal : official publication of the Federation of American Societies for Experimental Biology |
Complexity: | 522 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 4 |
Exact Mass: | 284.214015512 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.214015512 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.2 |
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