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9-cis Retinol

CAT: 0804-HY-W587806Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W587806Size:1 mg
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Description
9-cis Retinol is a precursor of 9-cis-Retinal. 9-cis Retinol can inhibit 9-cis-Retinoic acid (HY-15128) synthesis in Hep G2 cells[1].
CAS Number
22737-97-9
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/9-cis-retinol.html
Purity
97.0
Smiles
OC/C=C(C)/C=C/C=C(C)\C=C\C1=C(C)CCCC1(C)C
Molecular Formula
C20H30O
Molecular Weight
286.45
Precautions
H302, H315, H319, H335
References & Citations
[1]Paik J, et, al. 9-cis-retinoids: biosynthesis of 9-cis-retinoic acid. Biochemistry. 2000 Jul 11;39 (27) :8073-84.
Shipping Conditions
Room Temperature
Storage Conditions
Store at room temperature 3 years
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

9-cis-Retinol

9-cis-retinol is a retinol in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.

CAS Number22737-97-9
PubChem CID9947823
IUPAC Name(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Molecular FormulaC20H30O
Molecular Weight286.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity496
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO)\C)/C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
InChIKey
FPIPGXGPPPQFEQ-MKOSUFFBSA-N
Chemical Structure
2D Structure
2D structure of 9-cis-Retinol
CAS: 22737-97-9
CID: 9947823
Formula: C20H30O
MW: 286.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass286.229665576
Monoisotopic Mass286.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes