1.0 2010-04-08 22:13:45 UTC 2019-11-26 03:16:15 UTC FDB018513 Apo-10'-violaxanthal Isolated from Valencia orange peels. Apo-10'-violaxanthal is found in sweet orange and citrus. (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-beta,psi-carotenal 10'-Apoviolaxanthal 5,6-Epoxy-3-hydroxy-5,6-dihydro-10'-apo-b-caroten-10'-al 5,6-Epoxy-5,6-dihydro-3-hydroxy-10'-apo-b,y-carotenal, 9CI Apoviolaxanthinal C27H36O3 408.5729 408.266445018 (2Z,4Z,6E,8E,10E,12Z,14E)-15-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal (2Z,4Z,6E,8E,10E,12Z,14E)-15-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal 17237-68-2 C\C(\C=C/C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- QZOYIQGWDBXSHB-AFMCRXATSA-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 heteropolycyclic compounds Aldehydes Cyclic alcohols and derivatives Dialkyl ethers Enals Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Cyclic alcohol Dialkyl ether Enal Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Sesterterpenoid logp 6.28 ALOGPS logs -5.26 ALOGPS solubility 2.24e-03 g/l ALOGPS logp 4.75 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2Z,4Z,6E,8E,10E,12Z,14E)-15-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal ChemAxon average_mass 408.5729 ChemAxon mono_mass 408.266445018 ChemAxon smiles C\C(\C=C/C=O)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/C12OC1(C)CC(O)CC2(C)C ChemAxon formula C27H36O3 ChemAxon inchi InChI=1S/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3/b8-7+,13-9+,15-10-,17-16+,21-11+,22-12-,23-14- ChemAxon inchikey QZOYIQGWDBXSHB-AFMCRXATSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 132.46 ChemAxon polarizability 48.63 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10462 Specdb::CMs 46206 Specdb::CMs 163785 Specdb::MsMs 66294 Specdb::MsMs 66295 Specdb::MsMs 66296 Specdb::MsMs 123819 Specdb::MsMs 123820 Specdb::MsMs 123821 Specdb::MsMs 2371034 Specdb::MsMs 2371035 Specdb::MsMs 2371036 Specdb::MsMs 2563869 Specdb::MsMs 2563870 Specdb::MsMs 2563871 HMDB39018 #<Reference:0x000055ce3257f188> Citrus Unknown generic Sweet orange Type 1 specific Citrus sinensis 2711