1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:19 UTC FDB015845 10'-Apo-beta-caroten-10'-al Constituent of oranges and other citrus fruits. 10'-Apo-beta-caroten-10'-al is found in citrus. 10'-Apo-b-caroten-10'-al 10'-Apo-beta,psi-carotenal b-Apo-3-carotenal Reseptyl C27H36O 376.5741 376.276615774 (2E,4E,6Z,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal (2E,4E,6Z,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal 640-49-3 C\C(\C=C\C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7-,14-9+,16-11+,19-18+,22-12+,23-13+,24-15- PJEHRCCPERVGEC-AMANCMKTSA-N belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units. Sesterterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesterterpenoids Aliphatic homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Sesterterpenoid logp 7.57 ALOGPS logs -5.53 ALOGPS solubility 1.11e-03 g/l ALOGPS melting_point Mp 97-98° logp 6.68 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac (2E,4E,6Z,8E,10E,12Z,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohex-1-en-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal ChemAxon average_mass 376.5741 ChemAxon mono_mass 376.276615774 ChemAxon smiles C\C(\C=C\C=O)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C ChemAxon formula C27H36O ChemAxon inchi InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7-,14-9+,16-11+,19-18+,22-12+,23-13+,24-15- ChemAxon inchikey PJEHRCCPERVGEC-AMANCMKTSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 132.1 ChemAxon polarizability 47.93 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16030 Specdb::MsMs 109425 Specdb::MsMs 109426 Specdb::MsMs 109427 Specdb::MsMs 176853 Specdb::MsMs 176854 Specdb::MsMs 176855 HMDB36887 #<Reference:0x000055ce33105a70> Citrus Unknown generic