1.0 2010-04-08 22:12:12 UTC 2025-11-19 01:40:47 UTC FDB016042 1alpha-Hydroxyarbusculin A Isolated from Tanacetum vulgare (tansy). 1alpha-Hydroxyarbusculin A is found in herbs and spices. [3aS-(3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one 1a-Hydroxyarbusculin A 1beta-Hydroxyarbusculin A C15H22O4 266.3328 266.151809192 6,9-dihydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one 6,9-dihydroxy-5a,9-dimethyl-3-methylidene-octahydronaphtho[1,2-b]furan-2-one 50301-94-5 CC1(O)CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12 InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3 LVABKRFKENTQBT-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 Carbonyl compounds Cyclic alcohols and derivatives Enoate esters Gamma butyrolactones Hydrocarbon derivatives Monocarboxylic acids and derivatives Naphthofurans Organic oxides Oxacyclic compounds Secondary alcohols Sesquiterpenoids Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Enoate ester Eudesmanolide Gamma butyrolactone Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Naphthofuran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 0.98 ALOGPS logs -1.60 ALOGPS solubility 6.68e+00 g/l ALOGPS melting_point Mp 194-196° logp 1.2 ChemAxon pka_strongest_acidic 14.38 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 6,9-dihydroxy-5a,9-dimethyl-3-methylidene-dodecahydronaphtho[1,2-b]furan-2-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC1(O)CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12 ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3 ChemAxon inchikey LVABKRFKENTQBT-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 69.52 ChemAxon polarizability 28.76 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 109122 Specdb::MsMs 109123 Specdb::MsMs 109124 Specdb::MsMs 176514 Specdb::MsMs 176515 Specdb::MsMs 176516 Specdb::MsMs 2268964 Specdb::MsMs 2268965 Specdb::MsMs 2268966 Specdb::MsMs 3073044 Specdb::MsMs 3073045 Specdb::MsMs 3073046 Specdb::CMs 18874 Specdb::CMs 45206 Specdb::CMs 152399 Specdb::NmrOneD 138590 Specdb::NmrOneD 138591 Specdb::NmrOneD 138592 Specdb::NmrOneD 138593 Specdb::NmrOneD 138594 Specdb::NmrOneD 138595 Specdb::NmrOneD 138596 Specdb::NmrOneD 138597 Specdb::NmrOneD 138598 Specdb::NmrOneD 138599 Specdb::NmrOneD 138600 Specdb::NmrOneD 138601 Specdb::NmrOneD 138602 Specdb::NmrOneD 138603 Specdb::NmrOneD 138604 Specdb::NmrOneD 138605 Specdb::NmrOneD 138606 Specdb::NmrOneD 138607 Specdb::NmrOneD 138608 Specdb::NmrOneD 138609 HMDB37059 #<Reference:0x000055ce31f232f8> Herbs and Spices Unknown generic