1.0 2010-04-08 22:15:35 UTC 2025-11-19 02:36:35 UTC FDB021285 Annohexocin Constituent of the leaves of Annona muricata (soursop). Annohexocin is found in fruits. C35H64O9 628.8773 628.455033646 5-methyl-3-{2,6,8,10,13-pentahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one 5-methyl-3-{2,6,8,10,13-pentahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5H-furan-2-one 167696-97-1 CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CC(O)CCCC(O)CC1=CC(C)OC1=O InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-16-31(40)33-19-20-34(44-33)32(41)18-17-29(38)24-30(39)23-28(37)15-13-14-27(36)22-26-21-25(2)43-35(26)42/h21,25,27-34,36-41H,3-20,22-24H2,1-2H3 UAKTZILOYPPNCD-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 4.05 ALOGPS logs -4.86 ALOGPS solubility 8.77e-03 g/l ALOGPS logp 4.79 ChemAxon pka_strongest_acidic 13.79 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 5-methyl-3-{2,6,8,10,13-pentahydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-2,5-dihydrofuran-2-one ChemAxon average_mass 628.8773 ChemAxon mono_mass 628.455033646 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCC(O)CC(O)CC(O)CCCC(O)CC1=CC(C)OC1=O ChemAxon formula C35H64O9 ChemAxon inchi InChI=1S/C35H64O9/c1-3-4-5-6-7-8-9-10-11-12-16-31(40)33-19-20-34(44-33)32(41)18-17-29(38)24-30(39)23-28(37)15-13-14-27(36)22-26-21-25(2)43-35(26)42/h21,25,27-34,36-41H,3-20,22-24H2,1-2H3 ChemAxon inchikey UAKTZILOYPPNCD-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 172.6 ChemAxon polarizability 76.07 ChemAxon rotatable_bond_count 26 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 303697 Specdb::MsMs 303698 Specdb::MsMs 303699 Specdb::MsMs 346696 Specdb::MsMs 346697 Specdb::MsMs 346698 Specdb::MsMs 2823938 Specdb::MsMs 2823939 Specdb::MsMs 2823940 Specdb::MsMs 2854783 Specdb::MsMs 2854784 Specdb::MsMs 2854785 Specdb::CMs 17030 Specdb::CMs 581937 Specdb::CMs 581938 Specdb::CMs 581939 Specdb::CMs 581940 Specdb::CMs 581941 Specdb::CMs 581942 Specdb::CMs 581943 Specdb::CMs 581944 Specdb::CMs 581945 Specdb::CMs 581946 Specdb::CMs 581947 Specdb::CMs 581948 Specdb::CMs 581949 Specdb::CMs 581950 Specdb::CMs 581951 Specdb::CMs 581952 Specdb::CMs 581953 Specdb::CMs 581954 Specdb::CMs 581955 Specdb::CMs 581956 Specdb::CMs 581957 Specdb::CMs 581958 Specdb::CMs 581959 Specdb::CMs 581960 HMDB41362 #<Reference:0x000055ce32b6cd48> Fruits Unknown generic