1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:22 UTC FDB018593 7',8'-Dihydro-8'-hydroxyreticulataxanthin Isolated from Sinton citrangequat (hybrid of Citrus sinensis, Poncirus trifoliata and Fortunella margarita) peel. 7',8'-Dihydro-8'-hydroxyreticulataxanthin is found in citrus and fruits. 7',8'-Dihydro-8'-hydroxyreticulataxanthin C33H46O3 490.7165 490.344695338 (5E,7Z,9E,11E,13Z,15E,17Z,19E)-4-hydroxy-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-5,7,9,11,13,15,17,19-octaen-2-one (5E,7Z,9E,11E,13Z,15E,17Z,19E)-4-hydroxy-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-5,7,9,11,13,15,17,19-octaen-2-one CC(=O)CC(O)C(\C)=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/C33H46O3/c1-24(13-9-10-14-25(2)17-12-18-27(4)32(36)22-29(6)34)15-11-16-26(3)19-20-31-28(5)21-30(35)23-33(31,7)8/h9-20,30,32,35-36H,21-23H2,1-8H3/b10-9+,15-11+,17-12-,20-19+,24-13-,25-14+,26-16-,27-18+ IMAVGDVEEYAALY-MGHOLWCTSA-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 Beta-hydroxy ketones Hydrocarbon derivatives Long-chain fatty alcohols Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Beta-hydroxy ketone Carbonyl group Fatty acyl Fatty alcohol Hydrocarbon derivative Ketone Long chain fatty alcohol Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 6.79 ALOGPS logs -5.62 ALOGPS solubility 1.19e-03 g/l ALOGPS logp 6.01 ChemAxon pka_strongest_acidic 14.43 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (5E,7Z,9E,11E,13Z,15E,17Z,19E)-4-hydroxy-20-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-5,9,14,18-tetramethylicosa-5,7,9,11,13,15,17,19-octaen-2-one ChemAxon average_mass 490.7165 ChemAxon mono_mass 490.344695338 ChemAxon smiles CC(=O)CC(O)C(\C)=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 C33H46O3 ChemAxon inchi InChI=1S/C33H46O3/c1-24(13-9-10-14-25(2)17-12-18-27(4)32(36)22-29(6)34)15-11-16-26(3)19-20-31-28(5)21-30(35)23-33(31,7)8/h9-20,30,32,35-36H,21-23H2,1-8H3/b10-9+,15-11+,17-12-,20-19+,24-13-,25-14+,26-16-,27-18+ ChemAxon inchikey IMAVGDVEEYAALY-MGHOLWCTSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 163.44 ChemAxon polarizability 61.04 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18539 Specdb::CMs 46255 Specdb::CMs 132611 Specdb::CMs 140345 Specdb::MsMs 63372 Specdb::MsMs 63373 Specdb::MsMs 63374 Specdb::MsMs 120321 Specdb::MsMs 120322 Specdb::MsMs 120323 Specdb::MsMs 2774774 Specdb::MsMs 2774775 Specdb::MsMs 2774776 Specdb::MsMs 2906535 Specdb::MsMs 2906536 Specdb::MsMs 2906537 HMDB39090 #<Reference:0x000055ce2f4a9108> Citrus Unknown generic Fruits Unknown generic