1.0 2010-04-08 22:11:15 UTC 2019-11-26 03:09:58 UTC FDB014403 beta-Citraurinene Constituent of citrus peel. beta-Citraurinene is found in citrus. 8'-Apo-b-caroten-3-ol b-Citraurinene C30H42O 418.6539 418.323565966 3,5,5-trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]cyclohex-3-en-1-ol 3,5,5-trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]cyclohex-3-en-1-ol 58947-97-0 CC(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/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14-,25-15+,26-18- GKMHSJYLRXLVRG-BIIAHISDSA-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 Secondary alcohols Alcohol Aliphatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid logp 7.52 ALOGPS logs -5.53 ALOGPS solubility 1.23e-03 g/l ALOGPS melting_point Mp 141° logp 7.18 ChemAxon pka_strongest_acidic 18.91 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac 3,5,5-trimethyl-4-[(1E,3Z,5E,7E,9E,11Z,13E)-3,7,12,16-tetramethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]cyclohex-3-en-1-ol ChemAxon average_mass 418.6539 ChemAxon mono_mass 418.323565966 ChemAxon smiles CC(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 C30H42O ChemAxon inchi InChI=1S/C30H42O/c1-23(2)13-11-16-24(3)14-9-10-15-25(4)17-12-18-26(5)19-20-29-27(6)21-28(31)22-30(29,7)8/h9-20,28,31H,21-22H2,1-8H3/b10-9+,16-11+,17-12+,20-19+,24-14-,25-15+,26-18- ChemAxon inchikey GKMHSJYLRXLVRG-BIIAHISDSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 147.66 ChemAxon polarizability 54.87 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21859 Specdb::CMs 44504 Specdb::CMs 154840 Specdb::MsMs 103731 Specdb::MsMs 103732 Specdb::MsMs 103733 Specdb::MsMs 169845 Specdb::MsMs 169846 Specdb::MsMs 169847 Specdb::MsMs 2445151 Specdb::MsMs 2445152 Specdb::MsMs 2445153 Specdb::MsMs 2516778 Specdb::MsMs 2516779 Specdb::MsMs 2516780 HMDB35686 #<Reference:0x000055ce323bdc00> Citrus Unknown generic