1.0 2016-09-30 22:53:25 UTC 2020-04-22 15:10:27 UTC BMDB0002272 BMDB02272 all-trans-Phytofluene (12E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-Octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene 7,7',8,8',11,12-Hexahydro-psi,psi-carotene Phytofluene 7,8,11,12,7',8'-hexahydro-Psi,psi-carotene all-trans-Phytofluene Phytofluene, (cis)-isomer 7,7',8,8',11,12-Hexahydro-ψ,ψ-carotene 7,7',8,8',11,12-Hexahydrolycopene 7,7’,8,8’,11,12-Hexahydro-ψ,ψ-carotene 7,7’,8,8’,11,12-Hexahydrolycopene all-(E)-Phytofluene C40H62 542.9203 542.485151984 (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene (cis)-phytofluene 540-05-6 CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ OVSVTCFNLSGAMM-OUOOUFEBSA-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. Organic compounds Lipids and lipid-like molecules Prenol lipids Tetraterpenoids Carotenes Acyclic olefins Branched unsaturated hydrocarbons Unsaturated aliphatic hydrocarbons Acyclic olefin Aliphatic acyclic compound Branched unsaturated hydrocarbon Carotene Hydrocarbon Olefin Unsaturated aliphatic hydrocarbon Unsaturated hydrocarbon Aliphatic acyclic compounds C40 isoprenoids (tetraterpenes) C40 isoprenoids (tetraterpenes) Carotenoids phytofluene Solid boiling_point 162.5 °C logp 9.56 ALOGPS logs -6.19 ALOGPS logp 13.02 ChemAxon iupac (6E,10E,12E,14E,16E,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,22,26,30-decaene ChemAxon average_mass 542.9203 ChemAxon mono_mass 542.485151984 ChemAxon smiles CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C ChemAxon formula C40H62 ChemAxon inchi InChI=1S/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3/b12-11+,25-15+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+ ChemAxon inchikey OVSVTCFNLSGAMM-OUOOUFEBSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 194.46 ChemAxon polarizability 74.89 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 14420 Specdb::MsMs 47763 Specdb::MsMs 47764 Specdb::MsMs 47765 Specdb::MsMs 114372 Specdb::MsMs 114373 Specdb::MsMs 114374 Specdb::MsMs 2470005 Specdb::MsMs 2470006 Specdb::MsMs 2470007 Specdb::MsMs 2492531 Specdb::MsMs 2492532 Specdb::MsMs 2492533 FDB022937 4941340 6436722 C05414 28129 C00000913 CPD-7408