1.0 2010-04-08 22:11:11 UTC 2019-11-26 03:09:46 UTC FDB014288 Armexifolin Isolated from Tanacetum vulgare (tansy). Armexifolin is found in herbs and spices. [3aS-(3aalpha,5abeta,6beta,9bbeta)]-3a,5,5a,6,7,9b-Hexahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2,8(3H,4H)-dione 1-epi-Ludovicin C 1-Epiludovicin C Armexifolin C15H18O4 262.301 262.120509064 6-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione 6-hydroxy-5a,9-dimethyl-3-methylidene-3aH,4H,5H,6H,7H,9bH-naphtho[1,2-b]furan-2,8-dione 64929-15-3 CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3 QPXLDBMZJNDASA-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 Cyclohexenones Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic ketone Cyclohexenone Enoate ester Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 0.63 ALOGPS logs -1.97 ALOGPS solubility 2.84e+00 g/l ALOGPS melting_point Mp 201-203° logp 1.67 ChemAxon pka_strongest_acidic 14.44 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6-hydroxy-5a,9-dimethyl-3-methylidene-2H,3H,3aH,4H,5H,5aH,6H,7H,8H,9bH-naphtho[1,2-b]furan-2,8-dione ChemAxon average_mass 262.301 ChemAxon mono_mass 262.120509064 ChemAxon smiles CC1=C2C3OC(=O)C(=C)C3CCC2(C)C(O)CC1=O ChemAxon formula C15H18O4 ChemAxon inchi InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3 ChemAxon inchikey QPXLDBMZJNDASA-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 68.9 ChemAxon polarizability 26.96 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22587 Specdb::CMs 44438 Specdb::CMs 163948 Specdb::NmrOneD 132058 Specdb::NmrOneD 132059 Specdb::NmrOneD 132060 Specdb::NmrOneD 132061 Specdb::NmrOneD 132062 Specdb::NmrOneD 132063 Specdb::NmrOneD 132064 Specdb::NmrOneD 132065 Specdb::NmrOneD 132066 Specdb::NmrOneD 132067 Specdb::NmrOneD 132068 Specdb::NmrOneD 132069 Specdb::NmrOneD 132070 Specdb::NmrOneD 132071 Specdb::NmrOneD 132072 Specdb::NmrOneD 132073 Specdb::NmrOneD 132074 Specdb::NmrOneD 132075 Specdb::NmrOneD 132076 Specdb::NmrOneD 132077 Specdb::MsMs 73083 Specdb::MsMs 73084 Specdb::MsMs 73085 Specdb::MsMs 132165 Specdb::MsMs 132166 Specdb::MsMs 132167 Specdb::MsMs 2461321 Specdb::MsMs 2461322 Specdb::MsMs 2461323 Specdb::MsMs 2477357 Specdb::MsMs 2477358 Specdb::MsMs 2477359 HMDB35596 #<Reference:0x000055ce32b62f28> Herbs and Spices Unknown generic