1.0 2010-04-08 22:04:53 UTC 2019-11-26 02:56:10 UTC FDB001249 Annomuricin C Constituent of the leaves of Annona muricata (soursop). Annomuricin C is found in fruits. Annomuricin C C35H64O8 612.8779 612.460119024 (5S)-5-methyl-3-[(2R,8S,9S,13R)-2,8,9,13-tetrahydroxy-13-{5-[(1R)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]-2,5-dihydrofuran-2-one (5S)-5-methyl-3-[(2R,8S,9S,13R)-2,8,9,13-tetrahydroxy-13-{5-[(1R)-1-hydroxytridecyl]oxolan-2-yl}tridecyl]-5H-furan-2-one 167355-39-7 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCC(O)C(O)CCCCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3 LPDLLEWSLYZCOC-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 logp 6.63 ChemAxon pka_strongest_acidic 13.21 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac (5S)-5-methyl-3-[(2R,8S,9S,13R)-2,8,9,13-tetrahydroxy-13-{5-[(1R)-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)CCCC(O)C(O)CCCCCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H64O8 ChemAxon inchi InChI=1S/C35H64O8/c1-3-4-5-6-7-8-9-10-11-14-19-31(39)33-22-23-34(43-33)32(40)21-16-20-30(38)29(37)18-15-12-13-17-28(36)25-27-24-26(2)42-35(27)41/h24,26,28-34,36-40H,3-23,25H2,1-2H3 ChemAxon inchikey LPDLLEWSLYZCOC-UHFFFAOYSA-N ChemAxon polar_surface_area 136.68 ChemAxon refractivity 170.7 ChemAxon polarizability 74.65 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Fruits Unknown generic