1.0 2010-04-08 22:15:14 UTC 2025-11-19 02:33:36 UTC FDB020760 Diepomuricanin A Isolated from Annona muricata (soursop). Diepomuricanin A is found in fruits. Diepomuricanin A Epoxyrollin B C35H62O4 546.8644 546.464810472 3-(12-{3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl}dodecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(12-{3-[2-(3-dodecyloxiran-2-yl)ethyl]oxiran-2-yl}dodecyl)-5-methyl-5H-furan-2-one 142733-57-1 CCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C35H62O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h28-29,31-34H,3-27H2,1-2H3 MYTQYFDNFPLMAI-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 Epoxides Hydrocarbon derivatives 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 Lactone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane logp 9.74 ALOGPS logs -7.63 ALOGPS solubility 1.28e-05 g/l ALOGPS logp 11.64 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}dodecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 546.8644 ChemAxon mono_mass 546.464810472 ChemAxon smiles CCCCCCCCCCCCC1OC1CCC1OC1CCCCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C35H62O4 ChemAxon inchi InChI=1S/C35H62O4/c1-3-4-5-6-7-8-12-15-18-21-24-31-33(38-31)26-27-34-32(39-34)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)37-35(30)36/h28-29,31-34H,3-27H2,1-2H3 ChemAxon inchikey MYTQYFDNFPLMAI-UHFFFAOYSA-N ChemAxon polar_surface_area 51.36 ChemAxon refractivity 162.49 ChemAxon polarizability 73.25 ChemAxon rotatable_bond_count 27 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24996 Specdb::MsMs 321400 Specdb::MsMs 321401 Specdb::MsMs 321402 Specdb::MsMs 369025 Specdb::MsMs 369026 Specdb::MsMs 369027 Specdb::MsMs 2445952 Specdb::MsMs 2445953 Specdb::MsMs 2445954 Specdb::MsMs 2515980 Specdb::MsMs 2515981 Specdb::MsMs 2515982 HMDB40921 #<Reference:0x000055ce320e8048> Fruits Unknown generic