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Retinal, 4-hydroxy-

CAS No.:
18344-42-8
Catalog Number:
AG0027KY
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
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Product Description
Catalog Number:
AG0027KY
Chemical Name:
Retinal, 4-hydroxy-
CAS Number:
18344-42-8
Molecular Formula:
C20H28O2
Molecular Weight:
300.4351
MDL Number:
MFCD04039566
IUPAC Name:
(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal
InChI:
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,14,19,22H,11,13H2,1-5H3/b8-6+,10-9+,15-7+,16-12+
InChI Key:
CYVVUYORRQQAQE-RMWYGNQTSA-N
SMILES:
O=C/C=C(/C=C/C=C(/C=C/C1=C(C)C(O)CCC1(C)C)\C)\C
Properties
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
4  
Exact Mass:
300.209g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
300.442g/mol
Monoisotopic Mass:
300.209g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Quantum mechanical/molecular mechanical structure, enantioselectivity, and spectroscopy of hydroxyretinals and insights into the evolution of color vision in small white butterflies. The journal of physical chemistry. B 20111229
Aldo-keto reductases from the AKR1B subfamily: retinoid specificity and control of cellular retinoic acid levels. Chemico-biological interactions 20090316
Synthesis of enantiopure C3- and C4-hydroxyretinals and their enzymatic reduction by ADH8 from Xenopus laevis. Organic & biomolecular chemistry 20060107
Properties