1.0 2010-04-08 22:11:40 UTC 2019-11-26 03:11:12 UTC FDB015148 6-Hydroxydesacetyluvaricin (incorr.) Constituent of Annona glabra (pond apple). 6-Hydroxydesacetyluvaricin (incorr.) is found in alcoholic beverages and fruits. C35H62O7 594.8626 594.449554338 3-(4,13-dihydroxy-13-{5-[5-(1-hydroxynonyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(4,13-dihydroxy-13-{5-[5-(1-hydroxynonyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-5H-furan-2-one CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O InChI=1S/C35H62O7/c1-3-4-5-6-10-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-8-7-9-12-17-28(36)18-15-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3 RVEYLRYYFXLLCT-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 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 Secondary alcohol Tetrahydrofuran logp 6.34 ALOGPS logs -5.79 ALOGPS solubility 9.60e-04 g/l ALOGPS logp 7.79 ChemAxon pka_strongest_acidic 13.87 ChemAxon pka_strongest_basic -1.2 ChemAxon iupac 3-(4,13-dihydroxy-13-{5-[5-(1-hydroxynonyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 594.8626 ChemAxon mono_mass 594.449554338 ChemAxon smiles CCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCC(O)CCCC1=CC(C)OC1=O ChemAxon formula C35H62O7 ChemAxon inchi InChI=1S/C35H62O7/c1-3-4-5-6-10-13-19-29(37)31-21-23-33(41-31)34-24-22-32(42-34)30(38)20-14-11-8-7-9-12-17-28(36)18-15-16-27-25-26(2)40-35(27)39/h25-26,28-34,36-38H,3-24H2,1-2H3 ChemAxon inchikey RVEYLRYYFXLLCT-UHFFFAOYSA-N ChemAxon polar_surface_area 105.45 ChemAxon refractivity 167.19 ChemAxon polarizability 73.91 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15023 Specdb::CMs 44787 Specdb::CMs 283016 Specdb::CMs 444267 Specdb::CMs 444268 Specdb::CMs 444269 Specdb::CMs 444270 Specdb::CMs 444271 Specdb::CMs 444272 Specdb::CMs 444273 Specdb::CMs 444274 Specdb::CMs 444275 Specdb::CMs 444276 Specdb::CMs 444277 Specdb::CMs 444278 Specdb::MsMs 82101 Specdb::MsMs 82102 Specdb::MsMs 82103 Specdb::MsMs 143361 Specdb::MsMs 143362 Specdb::MsMs 143363 Specdb::MsMs 2368491 Specdb::MsMs 2368492 Specdb::MsMs 2368493 Specdb::MsMs 2566427 Specdb::MsMs 2566428 Specdb::MsMs 2566429 HMDB36282 #<Reference:0x000055ce2e8d4030> Alcoholic beverages Unknown generic Fruits Unknown generic