1.02010-04-08 22:13:50 UTC2019-11-26 03:16:26 UTCFDB018641(3'RS,3'SR)-AstaxanthinIt is used in fish farming to induce trout flesh colouring. Red food dye. (3'RS,3'SR)-Astaxanthin is found in fishes.(3R,3'S)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione(3R,3'S)-Astaxanthinmeso-AstaxanthinC40H52O4596.8385596.3865601526-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one71772-51-5C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)CInChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16+,29-19+,30-20+MQZIGYBFDRPAKN-HDQLMXHPSA-N belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.XanthophyllsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTetraterpenoidsAliphatic homomonocyclic compoundsCyclohexenonesHydrocarbon derivativesOrganic oxidesSecondary alcoholsAlcoholAliphatic homomonocyclic compoundCarbonyl groupCyclic ketoneCyclohexenoneHydrocarbon derivativeKetoneOrganic oxideOrganic oxygen compoundOrganooxygen compoundSecondary alcoholXanthophylllogp7.40logs-5.95solubility6.67e-04 g/lmelting_pointMp 216-219°logp8.05pka_strongest_acidic13.07pka_strongest_basic-3.5iupac6-hydroxy-3-[(1E,3E,5E,7E,9E,11Z,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-oneaverage_mass596.8385mono_mass596.386560152smilesC\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)CformulaC40H52O4inchiInChI=1S/C40H52O4/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)36(42)26-40(34,9)10/h11-24,35-36,41-42H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15-,28-16+,29-19+,30-20+inchikeyMQZIGYBFDRPAKN-HDQLMXHPSA-Npolar_surface_area74.6refractivity195.98polarizability72.68rotatable_bond_count10acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs20574Specdb::CMs46273Specdb::MsMs75474Specdb::MsMs75475Specdb::MsMs75476Specdb::MsMs135117Specdb::MsMs135118Specdb::MsMs135119HMDB39128#<Reference:0x0000555675fb7220>FishesUnknowngeneric