1.0 2016-09-30 22:52:35 UTC 2020-04-22 15:10:10 UTC BMDB0002204 BMDB02204 Astaxanthin (3S,3's)-Astaxanthin 3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione 3,3'-Dihydroxy-beta-carotene-4,4'-dione all-trans-(3S,3's)-Astaxanthin Astaxanthine e 161J Ovoester (3S,3's)-3,3'-Dihydroxy-beta,beta-carotene-4,4'-dione 3,3'-Dihydroxy-b,b-carotene-4,4'-dione 3,3'-Dihydroxy-β,β-carotene-4,4'-dione 3,3'-Dihydroxy-b-carotene-4,4'-dione 3,3'-Dihydroxy-β-carotene-4,4'-dione (3S,3's)-3,3'-Dihydroxy-b,b-carotene-4,4'-dione (3S,3's)-3,3'-Dihydroxy-β,β-carotene-4,4'-dione (3S,3's)-all-trans-Astaxanthin all-trans-3,3'-Dihydroxy-b-carotene-4,4'-dione (8ci) all-trans-3,3'-Dihydroxy-beta-carotene-4,4'-dione (8ci) all-trans-Astaxanthin AstaREAL Astaxanthin (6ci) BioAstin BioAstin oleoresin Carophyll pink Lucantin pink Natupink trans-Astaxanthin e-Astaxanthin (3S,3’S)-3,3’-dihydroxy-β,β-carotene-4,4’-dione (3S,3’S)-astaxanthin (3S,3’S)-all-trans-astaxanthin (S,S)-Astaxanthin all-trans-(3S,3’S)-astaxanthin Astaxanthin C40H52O4 596.852 596.386560154 (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-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 astaxanthin 472-61-7 C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](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+/t35-,36-/m0/s1 MQZIGYBFDRPAKN-UWFIBFSHSA-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. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Xanthophylls 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 Aliphatic homomonocyclic compounds C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids carotenol carotenone Solid melting_point 182.5 °C logp 7.40 ALOGPS logs -5.95 ALOGPS logp 8.05 ChemAxon pka_strongest_acidic 13.07 ChemAxon pka_strongest_basic -3.5 ChemAxon iupac (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-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 596.852 ChemAxon mono_mass 596.386560154 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](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+/t35-,36-/m0/s1 ChemAxon inchikey MQZIGYBFDRPAKN-UWFIBFSHSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 195.98 ChemAxon polarizability 73.77 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 18110 Specdb::CMs 38314 Specdb::CMs 455906 Specdb::CMs 455907 Specdb::CMs 455908 Specdb::CMs 455909 Specdb::CMs 455910 Specdb::CMs 455911 Specdb::CMs 455912 Specdb::CMs 455913 Specdb::CMs 455914 Specdb::CMs 455915 Specdb::CMs 455916 Specdb::CMs 791872 Specdb::NmrOneD 341528 Specdb::NmrOneD 341529 Specdb::NmrOneD 341530 Specdb::NmrOneD 341531 Specdb::NmrOneD 341532 Specdb::NmrOneD 341533 Specdb::NmrOneD 341534 Specdb::NmrOneD 341535 Specdb::NmrOneD 341536 Specdb::NmrOneD 341537 Specdb::NmrOneD 341538 Specdb::NmrOneD 341539 Specdb::NmrOneD 341540 Specdb::NmrOneD 341541 Specdb::NmrOneD 341542 Specdb::NmrOneD 341543 Specdb::NmrOneD 341544 Specdb::NmrOneD 341545 Specdb::NmrOneD 341546 Specdb::NmrOneD 341547 Specdb::MsMs 71871 Specdb::MsMs 71872 Specdb::MsMs 71873 Specdb::MsMs 130632 Specdb::MsMs 130633 Specdb::MsMs 130634 Specdb::MsMs 2252221 Specdb::MsMs 2254332 Specdb::MsMs 2256251 Specdb::MsMs 2334100 Specdb::MsMs 2334101 Specdb::MsMs 2334102 Specdb::MsMs 2627708 Specdb::MsMs 2627709 Specdb::MsMs 2627710 4444636 DB06543 FDB018640 C08580 5281224 C00000918 40968 Astaxanthin 3671 Berg, Michael; Essl, Stefan; Hugentobler, Max. Process for the preparation of astaxanthin. PCT Int. Appl. (2007), 19pp.