1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:09:58 UTC FDB014402 beta-Citraurol Constituent of citrus hybrid peel. beta-Citraurol is found in citrus. 8'-Apo-b-carotene-3,8'-diol b-Citraurinol C30H42O2 434.6533 434.318480588 4-[(1E,3Z,5E,7E,9E,11E,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 4-[(1E,3Z,5E,7E,9E,11E,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol 57593-78-9 C\C(CO)=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/C30H42O2/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/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+ FNAJVVMDXCOSFY-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 Hydrocarbon derivatives Long-chain fatty alcohols Primary alcohols Secondary alcohols Alcohol Aliphatic homomonocyclic compound Fatty acyl Fatty alcohol Hydrocarbon derivative Long chain fatty alcohol Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Triterpenoid logp 6.84 ALOGPS logs -5.44 ALOGPS solubility 1.57e-03 g/l ALOGPS logp 5.9 ChemAxon pka_strongest_acidic 16.76 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 4-[(1E,3Z,5E,7E,9E,11E,13E,15E)-17-hydroxy-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol ChemAxon average_mass 434.6533 ChemAxon mono_mass 434.318480588 ChemAxon smiles C\C(CO)=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 C30H42O2 ChemAxon inchi InChI=1S/C30H42O2/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/h8-19,28,31-32H,20-22H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16-,26-17+ ChemAxon inchikey FNAJVVMDXCOSFY-STNACPSUSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 149.43 ChemAxon polarizability 55.86 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 54933 Specdb::MsMs 54934 Specdb::MsMs 54935 Specdb::MsMs 147549 Specdb::MsMs 147550 Specdb::MsMs 147551 Specdb::MsMs 2742205 Specdb::MsMs 2742206 Specdb::MsMs 2742207 Specdb::MsMs 2939636 Specdb::MsMs 2939637 Specdb::MsMs 2939638 Specdb::CMs 25868 Specdb::CMs 44503 Specdb::CMs 162850 HMDB35685 #<Reference:0x000055ce30900278> Citrus Unknown generic