1.0 2010-04-08 22:15:32 UTC 2025-11-19 02:36:02 UTC FDB021193 3b-Hydroxy-6b-(2,3-epoxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6b-(2,3-epoxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide is found in green vegetables. 3b-Hydroxy-6b-(2,3-epoxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide C20H28O6 364.4327 364.188588628 6-hydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate 6-hydroxy-3,4a,5-trimethyl-2-oxo-4H,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate 171422-91-6 CC1OC1(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C InChI=1S/C20H28O6/c1-9-15-14(24-17(9)22)8-12-6-7-13(21)10(2)19(12,4)16(15)25-18(23)20(5)11(3)26-20/h10-14,16,21H,6-8H2,1-5H3 MTYSOJAHTIASFA-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 Butenolides Carbonyl compounds Cyclic alcohols and derivatives Dialkyl ethers Dicarboxylic acids and derivatives Enoate esters Eremophilanolides and secoeremophilanolides Hydrocarbon derivatives Lactones Naphthofurans Organic oxides Oxacyclic compounds Oxirane carboxylic acids Secondary alcohols Sesquiterpenoids 2-furanone Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dicarboxylic acid or derivatives Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Ether Hydrocarbon derivative Lactone Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Oxirane carboxylic acid Oxirane carboxylic acid or derivatives Secondary alcohol Sesquiterpenoid Terpene lactone logp 2.32 ALOGPS logs -3.05 ALOGPS solubility 3.22e-01 g/l ALOGPS logp 2.46 ChemAxon pka_strongest_acidic 14.16 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6-hydroxy-3,4a,5-trimethyl-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl 2,3-dimethyloxirane-2-carboxylate ChemAxon average_mass 364.4327 ChemAxon mono_mass 364.188588628 ChemAxon smiles CC1OC1(C)C(=O)OC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C ChemAxon formula C20H28O6 ChemAxon inchi InChI=1S/C20H28O6/c1-9-15-14(24-17(9)22)8-12-6-7-13(21)10(2)19(12,4)16(15)25-18(23)20(5)11(3)26-20/h10-14,16,21H,6-8H2,1-5H3 ChemAxon inchikey MTYSOJAHTIASFA-UHFFFAOYSA-N ChemAxon polar_surface_area 85.36 ChemAxon refractivity 92.62 ChemAxon polarizability 38.53 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16497 Specdb::CMs 47224 Specdb::CMs 147646 Specdb::MsMs 10646 Specdb::MsMs 10647 Specdb::MsMs 10648 Specdb::MsMs 17318 Specdb::MsMs 17319 Specdb::MsMs 17320 Specdb::MsMs 2732070 Specdb::MsMs 2732071 Specdb::MsMs 2732072 Specdb::MsMs 2976170 Specdb::MsMs 2976171 Specdb::MsMs 2976172 HMDB41279 #<Reference:0x000055ce30c75458> Green vegetables Unknown generic