1.0 2010-04-08 22:05:06 UTC 2025-11-18 22:32:51 UTC FDB001766 Apo-8'-capsorubinal Apo-8'-capsorubinal is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Apo-8'-capsorubinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-8'-capsorubinal can be found in a number of food items such as orange bell pepper, italian sweet red pepper, green bell pepper, and yellow bell pepper, which makes apo-8'-capsorubinal a potential biomarker for the consumption of these food products. C30H40O3 448.6368 448.297745146 (2E,4E,6E,8E,10E,12E,14E,16E)-18-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,6,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenal (2E,4E,6E,8E,10E,12E,14E,16E)-18-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,6,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenal 336105-83-0 O=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-28(33)30(7)21-27(32)20-29(30,5)6/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t27-,30-/m0/s1 VDGWCWMBBJYECQ-QNKNFTFASA-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 Acryloyl compounds Aldehydes Cyclic alcohols and derivatives Cyclopentanols Enals Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Alcohol Aldehyde Aliphatic homomonocyclic compound Alpha,beta-unsaturated aldehyde Alpha,beta-unsaturated ketone Carbonyl group Cyclic alcohol Cyclopentanol Enal Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.49 ALOGPS logs -5.45 ALOGPS solubility 1.59e-03 g/l ALOGPS logp 6.37 ChemAxon pka_strongest_acidic 15.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E,16E)-18-[(1R,4S)-4-hydroxy-1,2,2-trimethylcyclopentyl]-2,6,11,15-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenal ChemAxon average_mass 448.6368 ChemAxon mono_mass 448.297745146 ChemAxon smiles O=C\C(C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(C)C ChemAxon formula C30H40O3 ChemAxon inchi InChI=1S/C30H40O3/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-28(33)30(7)21-27(32)20-29(30,5)6/h8-19,22,27,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t27-,30-/m0/s1 ChemAxon inchikey VDGWCWMBBJYECQ-QNKNFTFASA-N ChemAxon polar_surface_area 54.37 ChemAxon refractivity 148.46 ChemAxon polarizability 55.15 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46305 Specdb::MsMs 46306 Specdb::MsMs 46307 Specdb::MsMs 164325 Specdb::MsMs 164326 Specdb::MsMs 164327 Specdb::MsMs 3598396 Specdb::MsMs 3598397 Specdb::MsMs 3598398 Specdb::MsMs 3598399 Specdb::MsMs 3598400 Specdb::MsMs 3598401 Green bell pepper Type 1 specific Capsicum annuum 4072 Italian sweet red pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072