1.0 2010-04-08 22:09:28 UTC 2025-11-18 23:24:34 UTC FDB011103 Murihexol Constituent of the seeds of Annona muricata (soursop). Murihexol is found in fruits. Murihexol C35H66O8 614.8937 614.475769088 3-(2,8,13,14,17,18-hexahydroxytriacontyl)-5-methyl-2,5-dihydrofuran-2-one 3-(2,8,13,14,17,18-hexahydroxytriacontyl)-5-methyl-5H-furan-2-one CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3 IRCFRVYGUCFTPA-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 Enoate esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Polyols Secondary alcohols 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 Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Polyol Secondary alcohol logp 5.33 ALOGPS logs -5.05 ALOGPS solubility 5.45e-03 g/l ALOGPS melting_point Mp 116-118° logp 6.54 ChemAxon pka_strongest_acidic 13.58 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 3-(2,8,13,14,17,18-hexahydroxytriacontyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 614.8937 ChemAxon mono_mass 614.475769088 ChemAxon smiles CCCCCCCCCCCCC(O)C(O)CCC(O)C(O)CCCCC(O)CCCCCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H66O8 ChemAxon inchi InChI=1S/C35H66O8/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33(40)23-24-34(41)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)43-35(28)42/h25,27,29-34,36-41H,3-24,26H2,1-2H3 ChemAxon inchikey IRCFRVYGUCFTPA-UHFFFAOYSA-N ChemAxon polar_surface_area 147.68 ChemAxon refractivity 172.85 ChemAxon polarizability 76.16 ChemAxon rotatable_bond_count 29 ChemAxon acceptor_count 7 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14699 Specdb::CMs 43087 Specdb::CMs 539155 Specdb::CMs 539156 Specdb::CMs 539157 Specdb::CMs 539158 Specdb::CMs 539159 Specdb::CMs 539160 Specdb::CMs 539161 Specdb::CMs 539162 Specdb::CMs 539163 Specdb::CMs 539164 Specdb::CMs 539165 Specdb::CMs 539166 Specdb::CMs 539167 Specdb::CMs 539168 Specdb::CMs 539169 Specdb::CMs 539170 Specdb::CMs 539171 Specdb::CMs 539172 Specdb::CMs 539173 Specdb::CMs 539174 Specdb::CMs 539175 Specdb::CMs 539176 Specdb::CMs 539177 Specdb::MsMs 108180 Specdb::MsMs 108181 Specdb::MsMs 108182 Specdb::MsMs 175335 Specdb::MsMs 175336 Specdb::MsMs 175337 Specdb::MsMs 2340390 Specdb::MsMs 2340391 Specdb::MsMs 2340392 Specdb::MsMs 2625167 Specdb::MsMs 2625168 Specdb::MsMs 2625169 HMDB33087 #<Reference:0x000055ce31f0c940> Fruits Unknown generic