1.0 2010-04-08 22:08:16 UTC 2019-11-26 03:03:16 UTC FDB008821 Muricatalicin Constituent of Annona muricata (soursop). Muricatalicin is found in fruits. C35H64O8 612.8779 612.460119024 5-methyl-3-{2,5,11,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one 5-methyl-3-{2,5,11,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5H-furan-2-one 179308-46-4 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCC(O)CCC(O)CC1=CC(C)OC1=O InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3 BUCMIVANQORDFI-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 Butenolides Carbonyl compounds Dialkyl ethers Enoate esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols Tetrahydrofurans 2-furanone Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Annonaceae acetogenin skeleton Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dihydrofuran Enoate ester Ether Hydrocarbon derivative Lactone Long chain fatty alcohol Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol Tetrahydrofuran logp 5.20 ALOGPS logs -5.17 ALOGPS solubility 4.10e-03 g/l ALOGPS melting_point Mp 105-106° logp 6.25 ChemAxon pka_strongest_acidic 13.78 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5-methyl-3-{2,5,11,13-tetrahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one ChemAxon average_mass 612.8779 ChemAxon mono_mass 612.460119024 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CC(O)CCCCCC(O)CCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H64O8 ChemAxon inchi InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-15-18-31(39)33-21-22-34(43-33)32(40)25-29(37)17-14-12-13-16-28(36)19-20-30(38)24-27-23-26(2)42-35(27)41/h23,26,28-34,36-40H,3-22,24-25H2,1-2H3 ChemAxon inchikey BUCMIVANQORDFI-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 170.97 ChemAxon polarizability 74.98 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26617 Specdb::CMs 42745 Specdb::CMs 529358 Specdb::CMs 529359 Specdb::CMs 529360 Specdb::CMs 529361 Specdb::CMs 529362 Specdb::CMs 529363 Specdb::CMs 529364 Specdb::CMs 529365 Specdb::CMs 529366 Specdb::CMs 529367 Specdb::CMs 529368 Specdb::CMs 529369 Specdb::CMs 529370 Specdb::CMs 529371 Specdb::CMs 529372 Specdb::CMs 529373 Specdb::CMs 529374 Specdb::CMs 529375 Specdb::CMs 529376 Specdb::CMs 529377 Specdb::CMs 529378 Specdb::CMs 529379 Specdb::CMs 529380 Specdb::MsMs 61842 Specdb::MsMs 61843 Specdb::MsMs 61844 Specdb::MsMs 118455 Specdb::MsMs 118456 Specdb::MsMs 118457 Specdb::MsMs 2687561 Specdb::MsMs 2687562 Specdb::MsMs 2687563 Specdb::MsMs 2993939 Specdb::MsMs 2993940 Specdb::MsMs 2993941 HMDB32103 #<Reference:0x000055ce3343b078> Fruits Unknown generic