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13-cis-Retinyl acetate

CAT: 0804-HY-145806Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-145806Size:1 mg
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Description
13-cis-Retinyl acetate (13-cis-Retinol acetate; 13-cis-Vitamin A acetate) is a 13-cis isomer formed by Retinyl acetate. 13-cis-Retinyl acetate is an active metabolite of vitamin A[1].
CAS Number
34356-31-5
Product Name Alternative
13-cis-Retinol acetate; 13-cis-Vitamin A acetate
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/13-cis-retinyl-acetate.html
Solubility
10 mM in DMSO
Smiles
CC(OC/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=O
Molecular Formula
C22H32O2
Molecular Weight
328.49
References & Citations
[1]Beaulieu N, et al. Liquid chromatographic methods for vitamins A and D in multivitamin-mineral formulations. J Assoc Off Anal Chem. 1989 Mar-Apr;72 (2) :247-54.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Retinol, 15-acetate, 13-cis-

Retinol acetate is a dietary supplement, permitted in infant formulas Retinol acetate belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol.

CAS Number34356-31-5
PubChem CID10359171
IUPAC Name[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP6.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity595
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\COC(=O)C)/C)/C
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14-
InChIKey
QGNJRVVDBSJHIZ-CAJSWRNVSA-N
Chemical Structure
2D Structure
2D structure of Retinol, 15-acetate, 13-cis-
CAS: 34356-31-5
CID: 10359171
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP36.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity595
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

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