1.0 2010-04-08 22:04:49 UTC 2019-11-26 02:55:52 UTC FDB001067 7,7',8,8'-Tetrahydro-beta,beta-carotene Isolated from the flavedo of Sinton citrangequat (a Citrus-Poncirus-Fortunella hybrid). 7,7',8,8'-Tetrahydro-beta,beta-carotene is found in citrus. 7,7',8,8'-Tetrahydro-b,b-carotene 7,7',8,8'-Tetrahydro-beta,beta-carotene h-Carotene C40H60 540.9044 540.46950192 1,3,3-trimethyl-2-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1-yl]cyclohex-1-ene 1,3,3-trimethyl-2-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1-yl]cyclohex-1-ene 40772-88-1 C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C InChI=1S/C40H60/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22H,15-16,23-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+ WLDANTZNLIHXEE-ZKUOVEGJSA-N belongs to the class of organic compounds known as carotenes. These are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They 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. Carotenes Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Aliphatic homomonocyclic compounds Branched unsaturated hydrocarbons Cycloalkenes Unsaturated aliphatic hydrocarbons Aliphatic homomonocyclic compound Branched unsaturated hydrocarbon Carotene Cyclic olefin Cycloalkene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon C40 isoprenoids (tetraterpenes) logp 9.96 ALOGPS logs -6.21 ALOGPS solubility 3.34e-04 g/l ALOGPS logp 11.85 ChemAxon iupac 1,3,3-trimethyl-2-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1-yl]cyclohex-1-ene ChemAxon average_mass 540.9044 ChemAxon mono_mass 540.46950192 ChemAxon smiles C\C(CCC1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)CCC1=C(C)CCCC1(C)C ChemAxon formula C40H60 ChemAxon inchi InChI=1S/C40H60/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22H,15-16,23-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+ ChemAxon inchikey WLDANTZNLIHXEE-ZKUOVEGJSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 189.38 ChemAxon polarizability 72.65 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12783 Specdb::MsMs 108615 Specdb::MsMs 108616 Specdb::MsMs 108617 Specdb::MsMs 175881 Specdb::MsMs 175882 Specdb::MsMs 175883 Specdb::MsMs 2702185 Specdb::MsMs 2702186 Specdb::MsMs 2702187 Specdb::MsMs 3006785 Specdb::MsMs 3006786 Specdb::MsMs 3006787 HMDB29847 #<Reference:0x000055ce304c5500> Citrus Unknown generic