1.0 2010-04-08 22:15:36 UTC 2025-11-19 02:36:38 UTC FDB021300 cis-Murisolinone Constituent of the seeds of Asimina triloba (pawpaw). cis-Murisolinone is found in fruits. cis-Murisolinone C35H64O6 580.8791 580.47028978 5-{11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one 5-{11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one 172489-11-1 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1 InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3 DPGGJXIYFHNDLV-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 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 8.07 ALOGPS logs -6.62 ALOGPS solubility 1.39e-04 g/l ALOGPS melting_point Mp 92-93° logp 8.88 ChemAxon pka_strongest_acidic 13.9 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 5-{11-hydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl}-3-(2-oxopropyl)oxolan-2-one ChemAxon average_mass 580.8791 ChemAxon mono_mass 580.47028978 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCC1CC(CC(C)=O)C(=O)O1 ChemAxon formula C35H64O6 ChemAxon inchi InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-13-16-19-22-31(37)33-24-25-34(41-33)32(38)23-20-17-14-11-10-12-15-18-21-30-27-29(26-28(2)36)35(39)40-30/h29-34,37-38H,3-27H2,1-2H3 ChemAxon inchikey DPGGJXIYFHNDLV-UHFFFAOYSA-N ChemAxon polar_surface_area 93.06 ChemAxon refractivity 165.82 ChemAxon polarizability 74.23 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21667 Specdb::CMs 47282 Specdb::CMs 282563 Specdb::CMs 398564 Specdb::CMs 398565 Specdb::CMs 398566 Specdb::CMs 398567 Specdb::CMs 398568 Specdb::CMs 398569 Specdb::CMs 398570 Specdb::CMs 398571 Specdb::CMs 398572 Specdb::CMs 398573 Specdb::CMs 398574 Specdb::CMs 398575 Specdb::CMs 398576 Specdb::CMs 398577 Specdb::CMs 398578 Specdb::CMs 398579 Specdb::CMs 398580 Specdb::MsMs 314194 Specdb::MsMs 314195 Specdb::MsMs 314196 Specdb::MsMs 359896 Specdb::MsMs 359897 Specdb::MsMs 359898 Specdb::MsMs 2741884 Specdb::MsMs 2741885 Specdb::MsMs 2741886 Specdb::MsMs 2940818 Specdb::MsMs 2940819 Specdb::MsMs 2940820 HMDB0041374 Fruits Unknown generic