1.0 2010-04-08 22:15:29 UTC 2025-11-19 02:35:41 UTC FDB021129 3-Oxo-8b-hydroxy-7(11)-eremophilen-12,8-olide Constituent of Petasites japonicus (sweet coltsfoot). 3-Oxo-8b-hydroxy-7(11)-eremophilen-12,8-olide is found in green vegetables. 3-Oxo-8b-hydroxy-7(11)-eremophilen-12,8-olide C15H20O4 264.3169 264.136159128 9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2,6-dione 9a-hydroxy-3,4a,5-trimethyl-4H,5H,7H,8H,8aH,9H-naphtho[2,3-b]furan-2,6-dione 171422-92-7 CC1C(=O)CCC2CC3(O)OC(=O)C(C)=C3CC12C InChI=1S/C15H20O4/c1-8-11-7-14(3)9(2)12(16)5-4-10(14)6-15(11,18)19-13(8)17/h9-10,18H,4-7H2,1-3H3 AQAVKEZEFHFROC-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 Cyclic alcohols and derivatives Cyclic ketones Enoate esters Eremophilanolides and secoeremophilanolides Hemiacetals Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Sesquiterpenoids 2-furanone Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Hemiacetal Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Terpene lactone logp 1.73 ALOGPS logs -2.51 ALOGPS solubility 8.18e-01 g/l ALOGPS melting_point Mp 204-206° logp 2.34 ChemAxon pka_strongest_acidic 11.26 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac 9a-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2,6-dione ChemAxon average_mass 264.3169 ChemAxon mono_mass 264.136159128 ChemAxon smiles CC1C(=O)CCC2CC3(O)OC(=O)C(C)=C3CC12C ChemAxon formula C15H20O4 ChemAxon inchi InChI=1S/C15H20O4/c1-8-11-7-14(3)9(2)12(16)5-4-10(14)6-15(11,18)19-13(8)17/h9-10,18H,4-7H2,1-3H3 ChemAxon inchikey AQAVKEZEFHFROC-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 69.39 ChemAxon polarizability 27.89 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 300667 Specdb::MsMs 300668 Specdb::MsMs 300669 Specdb::MsMs 342991 Specdb::MsMs 342992 Specdb::MsMs 342993 Specdb::MsMs 2405435 Specdb::MsMs 2405436 Specdb::MsMs 2405437 Specdb::MsMs 2530782 Specdb::MsMs 2530783 Specdb::MsMs 2530784 Specdb::CMs 15648 Specdb::CMs 47191 Specdb::CMs 132869 Specdb::CMs 140603 HMDB41227 #<Reference:0x000055ce2ee369b0> Green vegetables Unknown generic