1.0 2010-04-08 22:15:07 UTC 2025-11-19 02:32:41 UTC FDB020568 3b-Hydroxy-7(11)-eremophilen-12,8b-olide Constituent of Petasites japonicus (sweet coltsfoot). 3b-Hydroxy-7(11)-eremophilen-12,8b-olide is found in green vegetables. (3beta,8beta)-3-Hydroxy-7(11)-eremophilen-12,8-olide 3b-Hydroxy-7(11)-eremophilen-12,8b-olide C15H22O3 250.3334 250.15689457 6-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 6-hydroxy-3,4a,5-trimethyl-4H,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one 158848-23-8 CC1C(O)CCC2CC3OC(=O)C(C)=C3CC12C InChI=1S/C15H22O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h9-10,12-13,16H,4-7H2,1-3H3 CIYRSZQQVYGESH-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 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 Dihydrofuran Enoate ester Eremophilanolide or secoeremophilanolide Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Terpene lactone logp 2.17 ALOGPS logs -2.84 ALOGPS solubility 3.60e-01 g/l ALOGPS melting_point Mp 168-169° logp 2.37 ChemAxon pka_strongest_acidic 15.22 ChemAxon pka_strongest_basic -0.93 ChemAxon iupac 6-hydroxy-3,4a,5-trimethyl-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one ChemAxon average_mass 250.3334 ChemAxon mono_mass 250.15689457 ChemAxon smiles CC1C(O)CCC2CC3OC(=O)C(C)=C3CC12C ChemAxon formula C15H22O3 ChemAxon inchi InChI=1S/C15H22O3/c1-8-11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)18-14(8)17/h9-10,12-13,16H,4-7H2,1-3H3 ChemAxon inchikey CIYRSZQQVYGESH-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 68.74 ChemAxon polarizability 27.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18969 Specdb::CMs 46946 Specdb::CMs 153613 Specdb::MsMs 308140 Specdb::MsMs 308141 Specdb::MsMs 308142 Specdb::MsMs 352255 Specdb::MsMs 352256 Specdb::MsMs 352257 Specdb::MsMs 2466737 Specdb::MsMs 2466738 Specdb::MsMs 2466739 Specdb::MsMs 2496263 Specdb::MsMs 2496264 Specdb::MsMs 2496265 HMDB40754 #<Reference:0x000055ce31733818> Green vegetables Unknown generic