1.0 2010-04-08 22:05:33 UTC 2025-11-18 22:41:18 UTC FDB002863 Eremopetasitenin A1 Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasitenin A1 is found in green vegetables. Eremopetasitenin A1 C20H28O6 364.4327 364.188588628 5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradecan-2-yl (2E)-2-methylbut-2-enoate 5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradecan-2-yl (2E)-2-methylbut-2-enoate 71047-01-3 C\C=C(/C)C(=O)OC1C23OC2(CC2CCC(O)C(C)C12C)OC(=O)C3C InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6+ FYNKIYMILKEXOG-UXBLZVDNSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aliphatic heteropolycyclic compounds 1,3-dioxanes Carbonyl compounds Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Enoate esters Enol ester epoxides Fatty acid esters Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Enoate ester Enol ester epoxide Fatty acid ester Fatty acyl Gamma butyrolactone Hydrocarbon derivative Lactone Meta-dioxane Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Oxirane Secondary alcohol Tetrahydrofuran logp 2.85 ALOGPS logs -3.00 ALOGPS solubility 3.64e-01 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_acidic 14.94 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.0¹,¹⁰.0³,⁸]tetradecan-2-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 364.4327 ChemAxon mono_mass 364.188588628 ChemAxon smiles C\C=C(/C)C(=O)OC1C23OC2(CC2CCC(O)C(C)C12C)OC(=O)C3C ChemAxon formula C20H28O6 ChemAxon inchi InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6+ ChemAxon inchikey FYNKIYMILKEXOG-UXBLZVDNSA-N ChemAxon polar_surface_area 85.36 ChemAxon refractivity 92.61 ChemAxon polarizability 38.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 46176 Specdb::MsMs 46177 Specdb::MsMs 46178 Specdb::MsMs 165660 Specdb::MsMs 165661 Specdb::MsMs 165662 Specdb::MsMs 3041497 Specdb::MsMs 3041498 Specdb::MsMs 3041499 Specdb::MsMs 3102743 Specdb::MsMs 3102744 Specdb::MsMs 3102745 Specdb::CMs 16599 Specdb::CMs 42244 Specdb::CMs 159838 HMDB0030899 Green vegetables Unknown generic