1.0 2010-04-08 22:12:05 UTC 2019-11-26 03:12:19 UTC FDB015843 3-Hydroxy-8'-apo-epsilon-caroten-8'-al Constituent of avocado (Persea americana). 3-Hydroxy-8'-apo-epsilon-caroten-8'-al is found in fruits. 3-Hydroxy-8'-apo-e-caroten-8'-al C30H40O2 432.6374 432.302830524 (2Z,4Z,6E,8Z,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal (2Z,4Z,6E,8Z,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal C\C(C=O)=C\C=C/C(/C)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-20,22,28-29,32H,21H2,1-7H3/b9-8-,14-10+,15-11-,19-18+,23-12+,24-13+,25-16-,26-17- SPBPMWXNKPPVSX-LHMJRBLPSA-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 homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 7.06 ALOGPS logs -5.52 ALOGPS solubility 1.30e-03 g/l ALOGPS melting_point Mp 153° logp 6.42 ChemAxon pka_strongest_acidic 18.22 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2Z,4Z,6E,8Z,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal ChemAxon average_mass 432.6374 ChemAxon mono_mass 432.302830524 ChemAxon smiles C\C(C=O)=C\C=C/C(/C)=C/C=C\C=C(/C)\C=C\C=C(\C)/C=C/C1C(C)=CC(O)CC1(C)C ChemAxon formula C30H40O2 ChemAxon inchi InChI=1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-20,22,28-29,32H,21H2,1-7H3/b9-8-,14-10+,15-11-,19-18+,23-12+,24-13+,25-16-,26-17- ChemAxon inchikey SPBPMWXNKPPVSX-LHMJRBLPSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 148.56 ChemAxon polarizability 54.05 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13882 Specdb::CMs 45101 Specdb::CMs 136913 Specdb::CMs 144647 Specdb::MsMs 77088 Specdb::MsMs 77089 Specdb::MsMs 77090 Specdb::MsMs 137103 Specdb::MsMs 137104 Specdb::MsMs 137105 Specdb::MsMs 2391001 Specdb::MsMs 2391002 Specdb::MsMs 2391003 Specdb::MsMs 2575171 Specdb::MsMs 2575172 Specdb::MsMs 2575173 HMDB36885 #<Reference:0x00007f093c1b96e8> Fruits Unknown generic