1.0 2010-04-08 22:11:46 UTC 2019-11-26 03:11:25 UTC FDB015307 Fauronyl acetate Constituent of root of Valeriana officinalis variety latifolia. Fauronyl acetate is found in tea, fats and oils, and herbs and spices. Fauronyl acetate C17H28O3 280.4024 280.203844762 4a,8a-dimethyl-5-oxo-3-(propan-2-yl)-decahydronaphthalen-2-yl acetate 3-isopropyl-4a,8a-dimethyl-5-oxo-hexahydro-1H-naphthalen-2-yl acetate 2658-82-4 CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3 WAXPQZRMCKBKEV-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carboxylic acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Valerane sequiterpene logp 3.23 ALOGPS logs -4.19 ALOGPS solubility 1.83e-02 g/l ALOGPS melting_point Mp 85-86° logp 3.75 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac 4a,8a-dimethyl-5-oxo-3-(propan-2-yl)-decahydronaphthalen-2-yl acetate ChemAxon average_mass 280.4024 ChemAxon mono_mass 280.203844762 ChemAxon smiles CC(C)C1CC2(C)C(=O)CCCC2(C)CC1OC(C)=O ChemAxon formula C17H28O3 ChemAxon inchi InChI=1S/C17H28O3/c1-11(2)13-9-17(5)15(19)7-6-8-16(17,4)10-14(13)20-12(3)18/h11,13-14H,6-10H2,1-5H3 ChemAxon inchikey WAXPQZRMCKBKEV-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 78.19 ChemAxon polarizability 32.2 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24699 Specdb::CMs 162258 Specdb::MsMs 76026 Specdb::MsMs 76027 Specdb::MsMs 76028 Specdb::MsMs 135762 Specdb::MsMs 135763 Specdb::MsMs 135764 Specdb::MsMs 2354410 Specdb::MsMs 2354411 Specdb::MsMs 2354412 Specdb::MsMs 2607354 Specdb::MsMs 2607355 Specdb::MsMs 2607356 HMDB36422 #<Reference:0x000055ce321cfa38> Black tea Type 1 Fats and oils Unknown generic Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442