1.0 2010-04-08 22:09:32 UTC 2019-11-26 03:04:43 UTC FDB011244 Absindiol Constituent of Artemisia absinthium (wormwood). Absindiol is found in alcoholic beverages and herbs and spices. Absindiol C15H22O4 266.3328 266.151809192 4,8-dihydroxy-3,6-dimethyl-9-methylidene-dodecahydroazuleno[4,5-b]furan-2-one 4,8-dihydroxy-3,6-dimethyl-9-methylidene-decahydroazuleno[4,5-b]furan-2-one 213198-34-6 CC1C2C(OC1=O)C1C(CC(O)C1=C)C(C)CC2O InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3 IBIJTDJAWRYXRF-UHFFFAOYSA-N belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Guaianolides and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Gamma butyrolactone Guaiane sesquiterpenoid Guaianolide-skeleton Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Sesquiterpenoid Tetrahydrofuran logp 0.53 ALOGPS logs -1.35 ALOGPS solubility 1.18e+01 g/l ALOGPS melting_point Mp 161-163° logp 0.71 ChemAxon pka_strongest_acidic 14.41 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4,8-dihydroxy-3,6-dimethyl-9-methylidene-dodecahydroazuleno[4,5-b]furan-2-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC1C2C(OC1=O)C1C(CC(O)C1=C)C(C)CC2O ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3 ChemAxon inchikey IBIJTDJAWRYXRF-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 69.48 ChemAxon polarizability 29 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10965 Specdb::CMs 43159 Specdb::CMs 149971 Specdb::MsMs 101190 Specdb::MsMs 101191 Specdb::MsMs 101192 Specdb::MsMs 166740 Specdb::MsMs 166741 Specdb::MsMs 166742 Specdb::MsMs 2365663 Specdb::MsMs 2365664 Specdb::MsMs 2365665 Specdb::MsMs 2596978 Specdb::MsMs 2596979 Specdb::MsMs 2596980 Specdb::NmrOneD 118958 Specdb::NmrOneD 118959 Specdb::NmrOneD 118960 Specdb::NmrOneD 118961 Specdb::NmrOneD 118962 Specdb::NmrOneD 118963 Specdb::NmrOneD 118964 Specdb::NmrOneD 118965 Specdb::NmrOneD 118966 Specdb::NmrOneD 118967 Specdb::NmrOneD 118968 Specdb::NmrOneD 118969 Specdb::NmrOneD 118970 Specdb::NmrOneD 118971 Specdb::NmrOneD 118972 Specdb::NmrOneD 118973 Specdb::NmrOneD 118974 Specdb::NmrOneD 118975 Specdb::NmrOneD 118976 Specdb::NmrOneD 118977 HMDB33229 #<Reference:0x000055ce335bc9d8> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic