1.0 2010-04-08 22:08:09 UTC 2025-11-18 23:11:54 UTC FDB008572 Rollidecin C Constituent of Rollinia mucosa (biriba). Rollidecin C is found in alcoholic beverages and fruits. C35H62O6 578.8632 578.454639716 3-(2-hydroxy-9-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}nonyl)-5-methyl-2,5-dihydrofuran-2-one 3-(2-hydroxy-9-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}nonyl)-5-methyl-5H-furan-2-one 200703-16-8 CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3 KVJOKNWVKJJSNO-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 7.69 ALOGPS logs -6.55 ALOGPS solubility 1.64e-04 g/l ALOGPS melting_point Mp 42-43° logp 8.87 ChemAxon pka_strongest_acidic 14.11 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(2-hydroxy-9-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}nonyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 578.8632 ChemAxon mono_mass 578.454639716 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C35H62O6 ChemAxon inchi InChI=1S/C35H62O6/c1-3-4-5-6-7-8-9-10-14-17-20-31(37)32-23-24-34(41-32)33-22-21-30(40-33)19-16-13-11-12-15-18-29(36)26-28-25-27(2)39-35(28)38/h25,27,29-34,36-37H,3-24,26H2,1-2H3 ChemAxon inchikey KVJOKNWVKJJSNO-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 165.83 ChemAxon polarizability 73.55 ChemAxon rotatable_bond_count 23 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9283 Specdb::CMs 42649 Specdb::CMs 282515 Specdb::CMs 390112 Specdb::CMs 390113 Specdb::CMs 390114 Specdb::CMs 390115 Specdb::CMs 390116 Specdb::MsMs 8291 Specdb::MsMs 8292 Specdb::MsMs 8293 Specdb::MsMs 14963 Specdb::MsMs 14964 Specdb::MsMs 14965 Specdb::MsMs 2412625 Specdb::MsMs 2412626 Specdb::MsMs 2412627 Specdb::MsMs 2550039 Specdb::MsMs 2550040 Specdb::MsMs 2550041 HMDB31887 #<Reference:0x000055ce328481d0> Alcoholic beverages Unknown generic Fruits Unknown generic