1.0 2010-04-08 22:05:23 UTC 2019-11-26 02:57:30 UTC FDB002479 (3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol Isol. as a minor constituent from the crustacean Euchaeta russelli and from eggs of mackerel, yellow tail, dolphin and flying fish. (3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triol is found in crustaceans and fishes. 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-heptyl- 3,7-Dihydro-1,3-dimethyl-8-heptyl-1H-purine-2,6-dione C40H56O3 584.8708 584.422945658 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol 97134-07-1 C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(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/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+ RNQDFWZVKBSPOZ-ROKXECAJSA-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 Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Xanthophyll logp 7.69 ALOGPS logs -5.84 ALOGPS solubility 8.48e-04 g/l ALOGPS logp 7.43 ChemAxon pka_strongest_acidic 13.49 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol ChemAxon average_mass 584.8708 ChemAxon mono_mass 584.422945658 ChemAxon smiles C\C(\C=C\C=C(/C)\C=C\C1=C(C)CC(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 C40H56O3 ChemAxon inchi InChI=1S/C40H56O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-24,34,37-38,41-43H,25-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+ ChemAxon inchikey RNQDFWZVKBSPOZ-ROKXECAJSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 196.16 ChemAxon polarizability 74.3 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14208 Specdb::CMs 42014 Specdb::CMs 282749 Specdb::CMs 407883 Specdb::CMs 407884 Specdb::CMs 407885 Specdb::CMs 407886 Specdb::CMs 407887 Specdb::CMs 407888 Specdb::CMs 407889 Specdb::CMs 407890 Specdb::CMs 407891 Specdb::CMs 407892 Specdb::CMs 407893 Specdb::CMs 407894 Specdb::MsMs 79083 Specdb::MsMs 79084 Specdb::MsMs 79085 Specdb::MsMs 139596 Specdb::MsMs 139597 Specdb::MsMs 139598 Specdb::MsMs 2362037 Specdb::MsMs 2362038 Specdb::MsMs 2362039 Specdb::MsMs 2599862 Specdb::MsMs 2599863 Specdb::MsMs 2599864 HMDB30586 #<Reference:0x000055ce30a024a0> Crustaceans Unknown generic 6657 Fishes Unknown generic