1.0 2010-04-08 22:12:33 UTC 2019-11-26 03:13:33 UTC FDB016649 Artenolide Constituent of Artemisia absinthium (wormwood). Artenolide is found in alcoholic beverages and herbs and spices. C30H40O8 528.6338 528.272318256 (3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethyl-3a,4,5,6,8,9,9a,9b-octahydro-2H-4'-oxaspiro[azuleno[4,5-b]furan-3,13'-tetracyclo[10.2.1.0²,¹¹.0³,⁷]pentadecan]-2'(11')-ene-2,5'-dione (3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethyl-3a,4,5,8,9a,9b-hexahydro-4'-oxaspiro[azuleno[4,5-b]furan-3,13'-tetracyclo[10.2.1.0²,¹¹.0³,⁷]pentadecan]-2'(11')-ene-2,5'-dione 113807-34-4 C[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1 INWDFSUZZFAFBJ-HXCFRXSLSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tertiary alcohol Tetrahydrofuran logp 1.92 ALOGPS logs -3.46 ALOGPS solubility 1.82e-01 g/l ALOGPS melting_point Mp 163-174° logp 0.62 ChemAxon pka_strongest_acidic 13.24 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (3'S,3aS,6'S,7'S,9bS,10'S)-6,8,9,10'-tetrahydroxy-1',6,6',9,10'-pentamethyl-3a,4,5,6,8,9,9a,9b-octahydro-2H-4'-oxaspiro[azuleno[4,5-b]furan-3,13'-tetracyclo[10.2.1.0²,¹¹.0³,⁷]pentadecan]-2'(11')-ene-2,5'-dione ChemAxon average_mass 528.6338 ChemAxon mono_mass 528.272318256 ChemAxon smiles C[C@H]1[C@@H]2CC[C@](C)(O)C3=C([C@H]2OC1=O)C1(C)CC3C2(C1)[C@@H]1CCC(C)(O)C3=CC(O)C(C)(O)C3[C@H]1OC2=O ChemAxon formula C30H40O8 ChemAxon inchi InChI=1S/C30H40O8/c1-13-14-6-8-28(4,35)19-17-11-26(2,21(19)22(14)37-24(13)32)12-30(17)15-7-9-27(3,34)16-10-18(31)29(5,36)20(16)23(15)38-25(30)33/h10,13-15,17-18,20,22-23,31,34-36H,6-9,11-12H2,1-5H3/t13-,14-,15+,17?,18?,20?,22-,23-,26?,27?,28-,29?,30?/m0/s1 ChemAxon inchikey INWDFSUZZFAFBJ-HXCFRXSLSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 136.78 ChemAxon polarizability 56.76 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 84696 Specdb::MsMs 84697 Specdb::MsMs 84698 Specdb::MsMs 146595 Specdb::MsMs 146596 Specdb::MsMs 146597 Specdb::MsMs 2395761 Specdb::MsMs 2395762 Specdb::MsMs 2395763 Specdb::MsMs 2539463 Specdb::MsMs 2539464 Specdb::MsMs 2539465 Specdb::CMs 20573 Specdb::CMs 45464 Specdb::CMs 187696 Specdb::CMs 187697 Specdb::CMs 187698 Specdb::CMs 187699 Specdb::CMs 187700 Specdb::CMs 187701 Specdb::CMs 187702 Specdb::CMs 187703 Specdb::CMs 187704 Specdb::CMs 187705 Specdb::CMs 187706 Specdb::CMs 187707 Specdb::CMs 187708 Specdb::CMs 187709 Specdb::CMs 187710 Specdb::CMs 187711 Specdb::CMs 187712 Specdb::CMs 187713 Specdb::CMs 187714 Specdb::CMs 187715 Specdb::CMs 187716 Specdb::CMs 187717 Specdb::CMs 187718 HMDB37565 #<Reference:0x000055ce32fb1390> Alcoholic beverages Unknown generic Herbs and Spices Unknown generic