1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:22 UTC FDB018594 Capsorubinidione Production of oxidn. of pigments from paprika. Capsorubinidione is found in herbs and spices. Capsorubinidione Capsorubone k,k-Carotene-3,3',6,6'-tetrone C40H52O4 596.8385 596.386560152 (2Z,4E,6Z,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethyl-1,20-bis(1,2,2-trimethyl-4-oxocyclopentyl)icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione (2Z,4E,6Z,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethyl-1,20-bis(1,2,2-trimethyl-4-oxocyclopentyl)icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione 25494-49-9 C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C\C(=O)C1(C)CC(=O)CC1(C)C InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20- YOYRSOYUXNJBMN-SBFVYLSTSA-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 Cyclic ketones Enones Hydrocarbon derivatives Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Alpha,beta-unsaturated ketone Carbonyl group Cyclic ketone Enone Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Triterpenoid logp 7.27 ALOGPS logs -6.30 ALOGPS solubility 2.96e-04 g/l ALOGPS melting_point Mp 217° (209-210°) logp 9.08 ChemAxon pka_strongest_acidic 18.19 ChemAxon pka_strongest_basic -4.6 ChemAxon iupac (2Z,4E,6Z,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethyl-1,20-bis(1,2,2-trimethyl-4-oxocyclopentyl)icosa-2,4,6,8,10,12,14,16,18-nonaene-1,20-dione ChemAxon average_mass 596.8385 ChemAxon mono_mass 596.386560152 ChemAxon smiles C/C(/C=C/C=C(/C)\C=C\C(=O)C1(C)CC(=O)CC1(C)C)=C\C=C\C=C(/C)\C=C/C=C(\C)/C=C\C(=O)C1(C)CC(=O)CC1(C)C ChemAxon formula C40H52O4 ChemAxon inchi InChI=1S/C40H52O4/c1-29(17-13-19-31(3)21-23-35(43)39(9)27-33(41)25-37(39,5)6)15-11-12-16-30(2)18-14-20-32(4)22-24-36(44)40(10)28-34(42)26-38(40,7)8/h11-24H,25-28H2,1-10H3/b12-11+,17-13-,18-14+,23-21-,24-22+,29-15+,30-16+,31-19+,32-20- ChemAxon inchikey YOYRSOYUXNJBMN-SBFVYLSTSA-N ChemAxon polar_surface_area 68.28 ChemAxon refractivity 192.92 ChemAxon polarizability 72.52 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44295 Specdb::MsMs 44296 Specdb::MsMs 44297 Specdb::MsMs 120468 Specdb::MsMs 120469 Specdb::MsMs 120470 Specdb::MsMs 2310372 Specdb::MsMs 2310373 Specdb::MsMs 2310374 Specdb::MsMs 2655989 Specdb::MsMs 2655990 Specdb::MsMs 2655991 Specdb::CMs 9312 HMDB39091 #<Reference:0x000055ce2ead2f30> Herbs and Spices Unknown generic