1.0 2010-04-08 22:13:48 UTC 2019-11-26 03:16:21 UTC FDB018579 beta-Citraurin epoxide Isolated from orange peel. beta-Citraurin epoxide is found in citrus. 5,6-Epoxy-3-hydroxy-8'-apo-b-caroten-8'-al Apo-8'-violaxanthal b-Citraurin epoxide C30H40O3 448.6368 448.297745146 (2E,4E,6E,8E,10E,12E,14Z,16E)-17-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-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-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal 71869-83-5 C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(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)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/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+ TUSQPOXZYYVVMH-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 heteropolycyclic compounds Aldehydes Cyclic alcohols and derivatives Dialkyl ethers Enals Epoxides Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Alcohol Aldehyde Aliphatic heteropolycyclic compound Alpha,beta-unsaturated aldehyde Carbonyl group Cyclic alcohol Dialkyl ether Enal Ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Triterpenoid logp 6.86 ALOGPS logs -5.51 ALOGPS solubility 1.39e-03 g/l ALOGPS logp 5.67 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14Z,16E)-17-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-2,6,11,15-tetramethylheptadeca-2,4,6,8,10,12,14,16-octaenal ChemAxon average_mass 448.6368 ChemAxon mono_mass 448.297745146 ChemAxon smiles C\C(C=O)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12OC1(C)CC(O)CC2(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)18-19-30-28(5,6)20-27(32)21-29(30,7)33-30/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+ ChemAxon inchikey TUSQPOXZYYVVMH-STNACPSUSA-N ChemAxon polar_surface_area 49.83 ChemAxon refractivity 147.14 ChemAxon polarizability 55.68 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18693 Specdb::CMs 46248 Specdb::CMs 135031 Specdb::CMs 142765 Specdb::MsMs 44748 Specdb::MsMs 44749 Specdb::MsMs 44750 Specdb::MsMs 112803 Specdb::MsMs 112804 Specdb::MsMs 112805 Specdb::MsMs 2809259 Specdb::MsMs 2809260 Specdb::MsMs 2809261 Specdb::MsMs 2900445 Specdb::MsMs 2900446 Specdb::MsMs 2900447 HMDB39079 #<Reference:0x000055ce325b6bb0> Citrus Unknown generic