1.0 2010-04-08 22:09:46 UTC 2019-11-26 03:05:17 UTC FDB011694 Artemoin C Constituent of the seeds of Annona atemoya (custard apple). Artemoin C is found in fruits. 3-(15,16-Dihydroxytriacontyl)-5-methyl-2(5H)-furanone C35H66O4 550.8961 550.4961106 3-(15,16-dihydroxytriacontyl)-5-methyl-2,5-dihydrofuran-2-one 3-(15,16-dihydroxytriacontyl)-5-methyl-5H-furan-2-one CCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3 MBDVKGSWKNHBQZ-UHFFFAOYSA-N belongs to the class of organic compounds known as annonaceous acetogenins. These are waxy derivatives of fatty acids (usually C32 or C34), containing a terminal carboxylic acid combined with a 2-propanol unit at the C-2 position to form a methyl- substituted alpha,beta-unsaturated-gamma-lactone. One of their interesting structural features is a single, adjacent, or nonadjacent tetrahydrofuran (THF) or tetrahydropyran (THP) system with one or two flanking hydroxyl group(s) at the center of a long hydrocarbon chain. Annonaceous acetogenins Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aliphatic heteromonocyclic compounds 1,2-diols Butenolides Carbonyl compounds Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols 1,2-diol 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Enoate ester Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol logp 9.85 ALOGPS logs -7.04 ALOGPS solubility 5.00e-05 g/l ALOGPS logp 11.78 ChemAxon pka_strongest_acidic 13.88 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-(15,16-dihydroxytriacontyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 550.8961 ChemAxon mono_mass 550.4961106 ChemAxon smiles CCCCCCCCCCCCCCC(O)C(O)CCCCCCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C35H66O4 ChemAxon inchi InChI=1S/C35H66O4/c1-3-4-5-6-7-8-9-13-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-11-10-12-15-18-21-24-27-32-30-31(2)39-35(32)38/h30-31,33-34,36-37H,3-29H2,1-2H3 ChemAxon inchikey MBDVKGSWKNHBQZ-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 166.48 ChemAxon polarizability 74.79 ChemAxon rotatable_bond_count 29 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14447 Specdb::CMs 43382 Specdb::CMs 281758 Specdb::CMs 332982 Specdb::CMs 332983 Specdb::CMs 332984 Specdb::CMs 332985 Specdb::CMs 332986 Specdb::MsMs 9830 Specdb::MsMs 9831 Specdb::MsMs 9832 Specdb::MsMs 16502 Specdb::MsMs 16503 Specdb::MsMs 16504 Specdb::MsMs 2431183 Specdb::MsMs 2431184 Specdb::MsMs 2431185 Specdb::MsMs 2507710 Specdb::MsMs 2507711 Specdb::MsMs 2507712 HMDB33606 #<Reference:0x000055ce2f21c638> Fruits Unknown generic