1.0 2010-04-08 22:15:32 UTC 2025-11-19 02:36:02 UTC FDB021190 3b-Hydroxy-6a-methoxy-7(11)-eremophilen-12,8b-olide Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-6a-methoxy-7(11)-eremophilen-12,8b-olide is found in green vegetables. 3b-Hydroxy-6a-methoxy-7(11)-eremophilen-12,8b-olide C16H24O4 280.3594 280.167459256 6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 6-hydroxy-4-methoxy-3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 171595-26-9 COC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3 OBOOZVIHEDVWHF-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 Enoate esters Eremophilanolides and secoeremophilanolides Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds 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 Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Ether Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone logp 1.91 ALOGPS logs -2.74 ALOGPS solubility 5.09e-01 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 14.22 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 6-hydroxy-4-methoxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one ChemAxon average_mass 280.3594 ChemAxon mono_mass 280.167459256 ChemAxon smiles COC1C2=C(C)C(=O)OC2CC2CCC(O)C(C)C12C ChemAxon formula C16H24O4 ChemAxon inchi InChI=1S/C16H24O4/c1-8-13-12(20-15(8)18)7-10-5-6-11(17)9(2)16(10,3)14(13)19-4/h9-12,14,17H,5-7H2,1-4H3 ChemAxon inchikey OBOOZVIHEDVWHF-UHFFFAOYSA-N ChemAxon polar_surface_area 55.76 ChemAxon refractivity 74.85 ChemAxon polarizability 30.56 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12122 Specdb::CMs 46947 Specdb::CMs 174707 Specdb::MsMs 292678 Specdb::MsMs 292679 Specdb::MsMs 292680 Specdb::MsMs 332947 Specdb::MsMs 332948 Specdb::MsMs 332949 Specdb::MsMs 2716006 Specdb::MsMs 2716007 Specdb::MsMs 2716008 Specdb::MsMs 2962152 Specdb::MsMs 2962153 Specdb::MsMs 2962154 HMDB0040755 Green vegetables Unknown generic