1.0 2010-04-08 22:15:14 UTC 2025-11-19 02:33:35 UTC FDB020757 Corepoxylone Constituent of Annona muricata (soursop). Corepoxylone is found in fruits. C35H60O5 560.8479 560.44407503 3-(12-{3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl}-8-oxododecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(12-{3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl}-8-oxododecyl)-5-methyl-5H-furan-2-one 154272-51-2 CCCCCCCCCCCCC1OC1CCC1OC1CCCCC(=O)CCCCCCCC1=CC(C)OC1=O InChI=1S/C35H60O5/c1-3-4-5-6-7-8-9-10-14-17-23-31-33(39-31)25-26-34-32(40-34)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)38-35(29)37/h27-28,31-34H,3-26H2,1-2H3 HNFUHWXJCCMXEW-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 Dialkyl ethers Enoate esters Epoxides Hydrocarbon derivatives Ketones Lactones Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 2-furanone 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 Ketone Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane logp 8.55 ALOGPS logs -7.51 ALOGPS solubility 1.75e-05 g/l ALOGPS logp 10.46 ChemAxon pka_strongest_acidic 15.12 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac 3-(12-{3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl}-8-oxododecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 560.8479 ChemAxon mono_mass 560.44407503 ChemAxon smiles CCCCCCCCCCCCC1OC1CCC1OC1CCCCC(=O)CCCCCCCC1=CC(C)OC1=O ChemAxon formula C35H60O5 ChemAxon inchi InChI=1S/C35H60O5/c1-3-4-5-6-7-8-9-10-14-17-23-31-33(39-31)25-26-34-32(40-34)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)38-35(29)37/h27-28,31-34H,3-26H2,1-2H3 ChemAxon inchikey HNFUHWXJCCMXEW-UHFFFAOYSA-N ChemAxon polar_surface_area 68.43 ChemAxon refractivity 163.14 ChemAxon polarizability 72.81 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19074 Specdb::MsMs 308371 Specdb::MsMs 308372 Specdb::MsMs 308373 Specdb::MsMs 352528 Specdb::MsMs 352529 Specdb::MsMs 352530 Specdb::MsMs 2814952 Specdb::MsMs 2814953 Specdb::MsMs 2814954 Specdb::MsMs 2891409 Specdb::MsMs 2891410 Specdb::MsMs 2891411 HMDB40918 #<Reference:0x000055ce326c18e8> Fruits Unknown generic