1.0 2010-04-08 22:08:08 UTC 2025-11-18 23:11:54 UTC FDB008571 Rollidecin D Constituent of Rollinia mucosa (biriba). Rollidecin D is found in alcoholic beverages and fruits. C37H66O6 606.9163 606.485939844 3-(2-hydroxy-11-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}undecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(2-hydroxy-11-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}undecyl)-5-methyl-5H-furan-2-one 200703-17-9 CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3 KEMYLKFITCBCHA-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 8.37 ALOGPS logs -6.81 ALOGPS solubility 9.36e-05 g/l ALOGPS melting_point Mp 41-42° logp 9.76 ChemAxon pka_strongest_acidic 14.11 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 3-(2-hydroxy-11-{5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl}undecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 606.9163 ChemAxon mono_mass 606.485939844 ChemAxon smiles CCCCCCCCCCCCC(O)C1CCC(O1)C1CCC(CCCCCCCCCC(O)CC2=CC(C)OC2=O)O1 ChemAxon formula C37H66O6 ChemAxon inchi InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-13-16-19-22-33(39)34-25-26-36(43-34)35-24-23-32(42-35)21-18-15-12-10-11-14-17-20-31(38)28-30-27-29(2)41-37(30)40/h27,29,31-36,38-39H,3-26,28H2,1-2H3 ChemAxon inchikey KEMYLKFITCBCHA-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 175.04 ChemAxon polarizability 77.83 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26094 Specdb::CMs 42648 Specdb::CMs 480451 Specdb::CMs 480452 Specdb::CMs 480453 Specdb::CMs 480454 Specdb::CMs 480455 Specdb::CMs 792246 Specdb::MsMs 8255 Specdb::MsMs 8256 Specdb::MsMs 8257 Specdb::MsMs 14927 Specdb::MsMs 14928 Specdb::MsMs 14929 Specdb::MsMs 2662642 Specdb::MsMs 2662643 Specdb::MsMs 2662644 Specdb::MsMs 3015834 Specdb::MsMs 3015835 Specdb::MsMs 3015836 HMDB31886 #<Reference:0x00007f093c1adaf0> Alcoholic beverages Unknown generic Fruits Unknown generic