1.0 2010-04-08 22:05:33 UTC 2019-11-26 02:58:04 UTC FDB002877 2-Oxo-5,11(13)-eudesmadien-12,8-olide Constituent of Inula helenium (elecampane). 2-Oxo-5,11(13)-eudesmadien-12,8-olide is found in herbs and spices. [3aR-(3aalpha,5beta,8abeta,9aalpha)]-3,3a,5,6,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,7-dione 2-Oxo-5,11(13)-eudesmadien-12,8-olide 2-Oxoalantolactone C15H18O3 246.3016 246.125594442 5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2,7-dione 5,8a-dimethyl-3-methylidene-3aH,5H,6H,8H,9H,9aH-naphtho[2,3-b]furan-2,7-dione 68776-46-5 CC1CC(=O)CC2(C)CC3OC(=O)C(=C)C3C=C12 InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3 DSTJGYCTYZXZNH-UHFFFAOYSA-N belongs to the class of organic compounds known as eudesmanolides, secoeudesmanolides, and derivatives. These are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Eudesmanolides, secoeudesmanolides, and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Cyclic ketones Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Sesquiterpenoids Tetrahydrofurans Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Enoate ester Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Sesquiterpenoid Tetrahydrofuran logp 1.63 ALOGPS logs -2.92 ALOGPS solubility 2.93e-01 g/l ALOGPS melting_point Mp 152-153° logp 2.12 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 5,8a-dimethyl-3-methylidene-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2,7-dione ChemAxon average_mass 246.3016 ChemAxon mono_mass 246.125594442 ChemAxon smiles CC1CC(=O)CC2(C)CC3OC(=O)C(=C)C3C=C12 ChemAxon formula C15H18O3 ChemAxon inchi InChI=1S/C15H18O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,11,13H,2,4,6-7H2,1,3H3 ChemAxon inchikey DSTJGYCTYZXZNH-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 67.91 ChemAxon polarizability 26.39 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23778 Specdb::CMs 153118 Specdb::MsMs 88626 Specdb::MsMs 88627 Specdb::MsMs 88628 Specdb::MsMs 151389 Specdb::MsMs 151390 Specdb::MsMs 151391 Specdb::MsMs 2375414 Specdb::MsMs 2375415 Specdb::MsMs 2375416 Specdb::MsMs 2559408 Specdb::MsMs 2559409 Specdb::MsMs 2559410 HMDB30911 #<Reference:0x000055ce315e1e10> Herbs and Spices Unknown generic