1.0 2010-04-08 22:11:17 UTC 2019-11-26 03:10:07 UTC FDB014469 Arlatin Constituent of Artemisia absinthium (wormwood). Arlatin is found in alcoholic beverages and herbs and spices. Arlatin C15H22O4 266.3328 266.151809192 6,6a-dihydroxy-3,6,9-trimethyl-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-2-one 6,6a-dihydroxy-3,6,9-trimethyl-3H,3aH,4H,5H,7H,9aH,9bH-azuleno[4,5-b]furan-2-one 93552-69-3 CC1C2CCC(C)(O)C3(O)CC=C(C)C3C2OC1=O InChI=1S/C15H22O4/c1-8-4-7-15(18)11(8)12-10(5-6-14(15,3)17)9(2)13(16)19-12/h4,9-12,17-18H,5-7H2,1-3H3 VBQMPXNFLQSHMH-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 1,2-diols Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Gamma butyrolactones Guaianes Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans 1,2-diol 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 Sesquiterpenoid Tertiary alcohol Tetrahydrofuran logp 1.07 ALOGPS logs -1.75 ALOGPS solubility 4.73e+00 g/l ALOGPS melting_point Mp 203-205° logp 0.87 ChemAxon pka_strongest_acidic 13.18 ChemAxon pka_strongest_basic -3.3 ChemAxon iupac 6,6a-dihydroxy-3,6,9-trimethyl-2H,3H,3aH,4H,5H,6H,6aH,7H,9aH,9bH-azuleno[4,5-b]furan-2-one ChemAxon average_mass 266.3328 ChemAxon mono_mass 266.151809192 ChemAxon smiles CC1C2CCC(C)(O)C3(O)CC=C(C)C3C2OC1=O ChemAxon formula C15H22O4 ChemAxon inchi InChI=1S/C15H22O4/c1-8-4-7-15(18)11(8)12-10(5-6-14(15,3)17)9(2)13(16)19-12/h4,9-12,17-18H,5-7H2,1-3H3 ChemAxon inchikey VBQMPXNFLQSHMH-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 70.5 ChemAxon polarizability 28.54 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 132478 Specdb::NmrOneD 132479 Specdb::NmrOneD 132480 Specdb::NmrOneD 132481 Specdb::NmrOneD 132482 Specdb::NmrOneD 132483 Specdb::NmrOneD 132484 Specdb::NmrOneD 132485 Specdb::NmrOneD 132486 Specdb::NmrOneD 132487 Specdb::NmrOneD 132488 Specdb::NmrOneD 132489 Specdb::NmrOneD 132490 Specdb::NmrOneD 132491 Specdb::NmrOneD 132492 Specdb::NmrOneD 132493 Specdb::NmrOneD 132494 Specdb::NmrOneD 132495 Specdb::NmrOneD 132496 Specdb::NmrOneD 132497 Specdb::CMs 13814 Specdb::CMs 44537 Specdb::CMs 135721 Specdb::CMs 143455 Specdb::MsMs 107022 Specdb::MsMs 107023 Specdb::MsMs 107024 Specdb::MsMs 173898 Specdb::MsMs 173899 Specdb::MsMs 173900 Specdb::MsMs 2722152 Specdb::MsMs 2722153 Specdb::MsMs 2722154 Specdb::MsMs 2959644 Specdb::MsMs 2959645 Specdb::MsMs 2959646 HMDB35740 #<Reference:0x000055ce3249d8f0> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic