1.0 2010-04-08 22:07:12 UTC 2025-11-18 23:02:11 UTC FDB006559 Dehydro-beta-carotene Dehydro-beta-carotene is a member of the class of compounds known as carotenes. Carotenes 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. Dehydro-beta-carotene can be found in date, which makes dehydro-beta-carotene a potential biomarker for the consumption of this food product. C40H54 534.8568 534.422551728 (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E)-3,7,12,16-tetramethyl-18-[(1Z)-2,6,6-trimethylcyclohex-2-en-1-ylidene]octadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]cyclohex-1-ene (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E)-3,7,12,16-tetramethyl-18-[(1Z)-2,6,6-trimethylcyclohex-2-en-1-ylidene]octadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]cyclohex-1-ene C\C(\C=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C1/C(C)=CCCC1(C)C)=C/C=C/C(/C)=C/C=C1\C(C)=CCCC1(C)C InChI=1S/C40H54/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/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+ RRMHVWZOQSOJEK-VDISQYCASA-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 logp 9.58 ALOGPS logs -6.08 ALOGPS solubility 4.42e-04 g/l ALOGPS logp 10.76 ChemAxon iupac (6Z)-1,5,5-trimethyl-6-[(2E,4E,6E,8E,10E,12E,14E,16E)-3,7,12,16-tetramethyl-18-[(1Z)-2,6,6-trimethylcyclohex-2-en-1-ylidene]octadeca-2,4,6,8,10,12,14,16-octaen-1-ylidene]cyclohex-1-ene ChemAxon average_mass 534.8568 ChemAxon mono_mass 534.422551728 ChemAxon smiles C\C(\C=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C1/C(C)=CCCC1(C)C)=C/C=C/C(/C)=C/C=C1\C(C)=CCCC1(C)C ChemAxon formula C40H54 ChemAxon inchi InChI=1S/C40H54/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/h11-14,17-28H,15-16,29-30H2,1-10H3/b17-11+,18-12+,21-13+,22-14+,31-19+,32-20+,33-25+,34-26+,37-27+,38-28+ ChemAxon inchikey RRMHVWZOQSOJEK-VDISQYCASA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 192.73 ChemAxon polarizability 70.58 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 90285 Specdb::MsMs 90286 Specdb::MsMs 90287 Specdb::MsMs 153399 Specdb::MsMs 153400 Specdb::MsMs 153401 Specdb::MsMs 3603080 Specdb::MsMs 3603081 Specdb::MsMs 3603082 Specdb::MsMs 3603083 Specdb::MsMs 3603084 Specdb::MsMs 3603085 Date Type 1 specific Phoenix dactylifera 42345