1.02010-04-08 22:05:23 UTC2019-11-26 02:57:30 UTCFDB002479(3S,3'R,4xi)-beta,beta-Carotene-3,3',4-triolIsol. 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-dioneC40H56O3584.8708584.4229456584-[(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-diol4-[(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-diol97134-07-1C\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)CInChI=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.XanthophyllsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTetraterpenoidsAliphatic homomonocyclic compoundsHydrocarbon derivativesSecondary alcoholsAlcoholAliphatic homomonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSecondary alcoholXanthophylllogp7.69logs-5.84solubility8.48e-04 g/llogp7.43pka_strongest_acidic13.49pka_strongest_basic-1.1iupac4-[(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-diolaverage_mass584.8708mono_mass584.422945658smilesC\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)CformulaC40H56O3inchiInChI=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+inchikeyRNQDFWZVKBSPOZ-ROKXECAJSA-Npolar_surface_area60.69refractivity196.16polarizability74.3rotatable_bond_count10acceptor_count3donor_count3physiological_charge0formal_charge0Specdb::CMs14208Specdb::CMs42014Specdb::CMs282749Specdb::CMs407883Specdb::CMs407884Specdb::CMs407885Specdb::CMs407886Specdb::CMs407887Specdb::CMs407888Specdb::CMs407889Specdb::CMs407890Specdb::CMs407891Specdb::CMs407892Specdb::CMs407893Specdb::CMs407894Specdb::MsMs139596Specdb::MsMs139597Specdb::MsMs139598Specdb::MsMs2362037Specdb::MsMs2362038Specdb::MsMs2362039Specdb::MsMs79083Specdb::MsMs79084Specdb::MsMs79085Specdb::MsMs2599862Specdb::MsMs2599863Specdb::MsMs2599864HMDB30586#<Reference:0x0000555675a454e0>CrustaceansUnknowngeneric6657FishesUnknowngeneric