Cas no 14685-41-7 (Flexixanthin/4-Oxosaproxanthin)
14685-41-7 structure
Product Name:Flexixanthin/4-Oxosaproxanthin
CAS No:14685-41-7
MF:C40H54O3
MW:582.854972362518
CID:157163
Update Time:2024-02-29
Flexixanthin/4-Oxosaproxanthin Chemical and Physical Properties
Names and Identifiers
-
- b,y-Caroten-4-one,3',4'-didehydro-1',2'-dihydro-1',3-dihydroxy-, (3S)- (9CI)
- Flexixanthin(8CI)
- (3S)-3',4'-Didehydro-1',2'-dihydro-1',3-dihydroxy-β,ψ-caroten-4-one
- Flexixanthin
- Flexixanthin/ 4-Oxosaproxanthin
- LLKMUZAISVDKFO-PJPUVCQISA-N
- LMPR01070102
- Flexixanthin/4-Oxosaproxanthin
- (3S)-3',4'-Didehydro-1',2'-dihydro-1',3-dihydroxy-beta,psi-caroten-4-one
-
- Inchi： 1S/C40H54O3/c1-30(19-13-21-32(3)22-14-23-33(4)25-16-28-40(9,10)43)17-11-12-18-31(2)20-15-24-34(5)26-27-36-35(6)38(42)37(41)29-39(36,7)8/h11-27,37,41,43H,28-29H2,1-10H3/b12-11+,19-13+,20-15+,22-14+,25-16+,27-26+,30-17+,31-18+,32-21+,33-23+,34-24+/t37-/m0/s1
- InChI Key： LLKMUZAISVDKFO-PJPUVCQISA-N
- SMILES： O[C@@H]1C(C(C)=C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)O)/C)/C)C(C)(C)C1)=O
Computed Properties
- Exact Mass: 582.407
- Monoisotopic Mass: 582.407
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 43
- Rotatable Bond Count: 13
- Complexity: 1340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 11
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5
- XLogP3: 10.919
Flexixanthin/4-Oxosaproxanthin Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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