1.0 2010-04-08 22:13:46 UTC 2019-11-26 03:16:16 UTC FDB018518 beta-Carotenone Isolated from Triphasia trifolia (limeberry). beta-Carotenone is found in fruits. 5,6:5',6'-Diseco-b,b-carotene-5,5',6,6'-tetrone beta-Carotenone C40H56O4 600.8702 600.41786028 (8Z,10E,12E,14Z,16Z,18E,20E,22E,24E)-6,6,10,14,19,23,27,27-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene-2,7,26,31-tetrone (8Z,10E,12E,14Z,16Z,18E,20E,22E,24E)-6,6,10,14,19,23,27,27-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene-2,7,26,31-tetrone 20126-74-3 CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(/C)\C=C\C=C(/C)\C=C/C(=O)C(C)(C)CCCC(C)=O InChI=1S/C40H56O4/c1-31(19-13-21-33(3)25-27-37(43)39(7,8)29-15-23-35(5)41)17-11-12-18-32(2)20-14-22-34(4)26-28-38(44)40(9,10)30-16-24-36(6)42/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25-,28-26+,31-17-,32-18+,33-21+,34-22+ UQKVQNUNGXYNOJ-KQXPAGOKSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic acyclic compounds Acryloyl compounds Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Alpha,beta-unsaturated ketone Carbonyl group Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 7.56 ALOGPS logs -6.34 ALOGPS solubility 2.73e-04 g/l ALOGPS melting_point Mp 174-175° logp 10.09 ChemAxon pka_strongest_acidic 19.34 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (8Z,10E,12E,14Z,16Z,18E,20E,22E,24E)-6,6,10,14,19,23,27,27-octamethyldotriaconta-8,10,12,14,16,18,20,22,24-nonaene-2,7,26,31-tetrone ChemAxon average_mass 600.8702 ChemAxon mono_mass 600.41786028 ChemAxon smiles CC(=O)CCCC(C)(C)C(=O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C/C=C(/C)\C=C\C=C(/C)\C=C/C(=O)C(C)(C)CCCC(C)=O ChemAxon formula C40H56O4 ChemAxon inchi InChI=1S/C40H56O4/c1-31(19-13-21-33(3)25-27-37(43)39(7,8)29-15-23-35(5)41)17-11-12-18-32(2)20-14-22-34(4)26-28-38(44)40(9,10)30-16-24-36(6)42/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11-,19-13+,20-14+,27-25-,28-26+,31-17-,32-18+,33-21+,34-22+ ChemAxon inchikey UQKVQNUNGXYNOJ-KQXPAGOKSA-N ChemAxon polar_surface_area 68.28 ChemAxon refractivity 196.83 ChemAxon polarizability 75.19 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26362 Specdb::MsMs 85767 Specdb::MsMs 85768 Specdb::MsMs 85769 Specdb::MsMs 147921 Specdb::MsMs 147922 Specdb::MsMs 147923 Specdb::MsMs 2697777 Specdb::MsMs 2697778 Specdb::MsMs 2697779 Specdb::MsMs 2984165 Specdb::MsMs 2984166 Specdb::MsMs 2984167 HMDB39023 #<Reference:0x000055ce333559b0> Fruits Unknown generic