1.0 2010-04-08 22:10:52 UTC 2019-11-26 03:08:56 UTC FDB013720 beta-Citraurin Constituent of orange peel. beta-Citraurin is found in many foods, some of which are yellow bell pepper, passion fruit, pepper (c. annuum), and sweet orange. 3-Hydroxy-8'-apo-b-caroten-8'-al 3-Hydroxy-beta-apo-8'-carotenal Apo-8'-zeaxanthinal b-Citraurin beta-Citraurin C30H40O2 432.6374 432.302830524 (2E,4E,6E,8E,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal (2E,4E,6E,8E,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal 650-69-1 C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(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/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+ AVPAEFHIEZLSLZ-STNACPSUSA-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 -5.50 ALOGPS solubility 1.36e-03 g/l ALOGPS melting_point Mp 146-147° logp 6.22 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-1-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\C1=C(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/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+ ChemAxon inchikey AVPAEFHIEZLSLZ-STNACPSUSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 148.45 ChemAxon polarizability 54.88 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21234 Specdb::CMs 44182 Specdb::CMs 137626 Specdb::CMs 145360 Specdb::MsMs 96681 Specdb::MsMs 96682 Specdb::MsMs 96683 Specdb::MsMs 161232 Specdb::MsMs 161233 Specdb::MsMs 161234 Specdb::MsMs 2751376 Specdb::MsMs 2751377 Specdb::MsMs 2751378 Specdb::MsMs 2930244 Specdb::MsMs 2930245 Specdb::MsMs 2930246 HMDB35091 #<Reference:0x000055ce31d766d0> Citrus Unknown generic Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Orange bell pepper Type 1 specific Capsicum annuum 4072 Passion fruit Type 1 specific Passiflora edulis 78168 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Sweet orange Type 1 specific Citrus sinensis 2711 Yellow bell pepper Type 1 specific Capsicum annuum 4072