1.0 2010-04-08 22:10:34 UTC 2019-11-26 03:08:06 UTC FDB013186 Dihydrofukinolide Constituent of Petasites japonicus (sweet coltsfoot). Dihydrofukinolide is found in giant butterbur and green vegetables. Dihydrofukinolide C22H32O6 392.4859 392.219888756 3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-4-yl 2-methylbutanoate 3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1H-spiro[indene-2,3'-oxolane]-4-yl 2-methylbutanoate 41059-95-4 CCC(C)C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O InChI=1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3 RLFYIIYBXGSPOM-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. Terpene lactones Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Sesquiterpenoids Tetrahydrofurans Tricarboxylic acids and derivatives Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Gamma butyrolactone Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Terpene lactone Tetrahydrofuran Tricarboxylic acid or derivatives logp 3.63 ALOGPS logs -4.69 ALOGPS solubility 8.06e-03 g/l ALOGPS melting_point Mp 125-126° logp 3.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 3-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-octahydrospiro[indene-2,3'-oxolane]-4-yl 2-methylbutanoate ChemAxon average_mass 392.4859 ChemAxon mono_mass 392.219888756 ChemAxon smiles CCC(C)C(=O)OC1CCC(C)C2(C)CC3(C(OC(C)=O)C12)C(=C)COC3=O ChemAxon formula C22H32O6 ChemAxon inchi InChI=1S/C22H32O6/c1-7-12(2)19(24)28-16-9-8-13(3)21(6)11-22(14(4)10-26-20(22)25)18(17(16)21)27-15(5)23/h12-13,16-18H,4,7-11H2,1-3,5-6H3 ChemAxon inchikey RLFYIIYBXGSPOM-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 101.59 ChemAxon polarizability 42.17 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12989 Specdb::MsMs 12990 Specdb::MsMs 12991 Specdb::MsMs 19661 Specdb::MsMs 19662 Specdb::MsMs 19663 Specdb::MsMs 2776007 Specdb::MsMs 2776008 Specdb::MsMs 2776009 Specdb::MsMs 2906139 Specdb::MsMs 2906140 Specdb::MsMs 2906141 Specdb::CMs 25304 Specdb::CMs 174174 HMDB34662 #<Reference:0x000055ce2f359118> Giant butterbur Type 1 specific Petasites japonicus 186965 Green vegetables Unknown generic