1.0 2010-04-08 22:13:50 UTC 2019-11-26 03:16:26 UTC FDB018641 (3'RS,3'SR)-Astaxanthin It 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)-Astaxanthin meso-Astaxanthin C40H52O4 596.8385 596.386560152 6-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-one 6-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-one 71772-51-5 C\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)C InChI=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. Xanthophylls Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Cyclohexenones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Carbonyl group Cyclic ketone Cyclohexenone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 7.40 ALOGPS logs -5.95 ALOGPS solubility 6.67e-04 g/l ALOGPS melting_point Mp 216-219° logp 8.05 ChemAxon pka_strongest_acidic 13.07 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac 6-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-one ChemAxon average_mass 596.8385 ChemAxon mono_mass 596.386560152 ChemAxon smiles C\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)C ChemAxon formula C40H52O4 ChemAxon inchi InChI=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+ ChemAxon inchikey MQZIGYBFDRPAKN-HDQLMXHPSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 195.98 ChemAxon polarizability 72.68 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 75474 Specdb::MsMs 75475 Specdb::MsMs 75476 Specdb::MsMs 135117 Specdb::MsMs 135118 Specdb::MsMs 135119 Specdb::CMs 20574 Specdb::CMs 46273 HMDB39128 #<Reference:0x000055ce330d8980> Fishes Unknown generic