1.0 2010-04-08 22:05:43 UTC 2019-11-26 02:58:42 UTC FDB003252 Mosinone A Constituent of Annona squamosa (sugar apple). Mosinone A is found in fruits. C37H64O7 620.8999 620.465204402 5-(11-hydroxy-11-{5-[(4Z)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl}-5-oxoundecyl)-3-(2-oxopropyl)oxolan-2-one 5-(11-hydroxy-11-{5-[(4Z)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl}-5-oxoundecyl)-3-(2-oxopropyl)oxolan-2-one 191800-47-2 CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1 InChI=1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12- MEZMFFSHBLPWKU-SEYXRHQNSA-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 Carboxylic acid esters Dialkyl ethers Gamma butyrolactones Hydrocarbon derivatives Ketones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Secondary alcohols Tetrahydrofurans Alcohol Aliphatic heteromonocyclic compound Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Gamma butyrolactone Hydrocarbon derivative Ketone Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 7.15 ALOGPS logs -6.29 ALOGPS solubility 3.22e-04 g/l ALOGPS logp 8.23 ChemAxon pka_strongest_acidic 13.89 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-(11-hydroxy-11-{5-[(4Z)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl}-5-oxoundecyl)-3-(2-oxopropyl)oxolan-2-one ChemAxon average_mass 620.8999 ChemAxon mono_mass 620.465204402 ChemAxon smiles CCCCCCCCCC\C=C/CCC(O)C1CCC(O1)C(O)CCCCCC(=O)CCCCC1CC(CC(C)=O)C(=O)O1 ChemAxon formula C37H64O7 ChemAxon inchi InChI=1S/C37H64O7/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-33(40)35-25-26-36(44-35)34(41)24-17-14-15-20-31(39)21-18-19-22-32-28-30(27-29(2)38)37(42)43-32/h12-13,30,32-36,40-41H,3-11,14-28H2,1-2H3/b13-12- ChemAxon inchikey MEZMFFSHBLPWKU-SEYXRHQNSA-N ChemAxon polar_surface_area 110.13 ChemAxon refractivity 176.78 ChemAxon polarizability 75.96 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85515 Specdb::MsMs 85516 Specdb::MsMs 85517 Specdb::MsMs 147621 Specdb::MsMs 147622 Specdb::MsMs 147623 Specdb::MsMs 2359203 Specdb::MsMs 2359204 Specdb::MsMs 2359205 Specdb::MsMs 2603846 Specdb::MsMs 2603847 Specdb::MsMs 2603848 Specdb::CMs 17564 Specdb::CMs 42393 Specdb::CMs 544257 Specdb::CMs 544258 Specdb::CMs 544259 Specdb::CMs 544260 Specdb::CMs 544261 Specdb::CMs 544262 Specdb::CMs 544263 Specdb::CMs 544264 Specdb::CMs 544265 Specdb::CMs 544266 Specdb::CMs 544267 Specdb::CMs 544268 Specdb::CMs 544269 Specdb::CMs 544270 Specdb::CMs 544271 Specdb::CMs 544272 Specdb::CMs 544273 Specdb::CMs 544274 Specdb::CMs 544275 Specdb::CMs 544276 Specdb::CMs 544277 Specdb::CMs 544278 Specdb::CMs 544279 HMDB31228 #<Reference:0x000055ce320d6780> Fruits Unknown generic