1.0 2010-04-08 22:12:09 UTC 2019-11-26 03:12:28 UTC FDB015946 Muricin D Constituent of the seeds of Annona muricata (soursop). Muricin D is found in fruits. C33H60O7 568.8253 568.433904274 3-{2-hydroxy-12-[5-(1,4,5-trihydroxydodecyl)oxolan-2-yl]dodecyl}-5-methyl-2,5-dihydrofuran-2-one 3-{2-hydroxy-12-[5-(1,4,5-trihydroxydodecyl)oxolan-2-yl]dodecyl}-5-methyl-5H-furan-2-one CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C33H60O7/c1-3-4-5-10-15-18-29(35)30(36)20-21-31(37)32-22-19-28(40-32)17-14-12-9-7-6-8-11-13-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3 WYLPUBYVBIPLKH-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 5.70 ALOGPS logs -5.29 ALOGPS solubility 2.90e-03 g/l ALOGPS logp 6.82 ChemAxon pka_strongest_acidic 13.69 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-{2-hydroxy-12-[5-(1,4,5-trihydroxydodecyl)oxolan-2-yl]dodecyl}-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 568.8253 ChemAxon mono_mass 568.433904274 ChemAxon smiles CCCCCCCC(O)C(O)CCC(O)C1CCC(CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C33H60O7 ChemAxon inchi InChI=1S/C33H60O7/c1-3-4-5-10-15-18-29(35)30(36)20-21-31(37)32-22-19-28(40-32)17-14-12-9-7-6-8-11-13-16-27(34)24-26-23-25(2)39-33(26)38/h23,25,27-32,34-37H,3-22,24H2,1-2H3 ChemAxon inchikey WYLPUBYVBIPLKH-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 160.14 ChemAxon polarizability 70.49 ChemAxon rotatable_bond_count 24 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86715 Specdb::MsMs 86716 Specdb::MsMs 86717 Specdb::MsMs 149073 Specdb::MsMs 149074 Specdb::MsMs 149075 Specdb::MsMs 2420382 Specdb::MsMs 2420383 Specdb::MsMs 2420384 Specdb::MsMs 2545759 Specdb::MsMs 2545760 Specdb::MsMs 2545761 Specdb::CMs 18696 Specdb::CMs 45152 Specdb::CMs 282206 Specdb::CMs 365801 Specdb::CMs 365802 Specdb::CMs 365803 Specdb::CMs 365804 Specdb::CMs 365805 Specdb::CMs 365806 Specdb::CMs 365807 Specdb::CMs 365808 Specdb::CMs 365809 Specdb::CMs 365810 Specdb::CMs 365811 Specdb::CMs 365812 Specdb::CMs 365813 Specdb::CMs 365814 Specdb::CMs 365815 Specdb::CMs 365816 Specdb::CMs 365817 Specdb::CMs 365818 Specdb::CMs 365819 Specdb::CMs 365820 Specdb::CMs 365821 Specdb::CMs 365822 HMDB36975 #<Reference:0x000055ce331b8a30> Fruits Unknown generic