1.0 2010-04-08 22:05:34 UTC 2025-11-18 22:41:47 UTC FDB002914 Squamocin L Isolated from Annona squamosa (sugar apple). Squamocin L is found in fruits. Desacetyluvaricin Neodesacetyluvaricin C37H66O6 606.9163 606.485939844 3-(13-hydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-2,5-dihydrofuran-2-one 3-(13-hydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-5H-furan-2-one 98767-45-4 CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3 URLVCROWVOSNPT-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 8.18 ALOGPS logs -6.66 ALOGPS solubility 1.32e-04 g/l ALOGPS melting_point Mp ca. 25° logp 10.07 ChemAxon pka_strongest_acidic 13.87 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 3-(13-hydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-5-methyl-2,5-dihydrofuran-2-one ChemAxon average_mass 606.9163 ChemAxon mono_mass 606.485939844 ChemAxon smiles CCCCCCCCCCC(O)C1CCC(O1)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O ChemAxon formula C37H66O6 ChemAxon inchi InChI=1S/C37H66O6/c1-3-4-5-6-7-13-16-19-22-31(38)33-24-26-35(42-33)36-27-25-34(43-36)32(39)23-20-17-14-11-9-8-10-12-15-18-21-30-28-29(2)41-37(30)40/h28-29,31-36,38-39H,3-27H2,1-2H3 ChemAxon inchikey URLVCROWVOSNPT-UHFFFAOYSA-N ChemAxon polar_surface_area 85.22 ChemAxon refractivity 174.73 ChemAxon polarizability 77.4 ChemAxon rotatable_bond_count 25 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22900 Specdb::CMs 42260 Specdb::CMs 480446 Specdb::CMs 480447 Specdb::CMs 480448 Specdb::CMs 480449 Specdb::CMs 480450 Specdb::CMs 792245 Specdb::MsMs 6680 Specdb::MsMs 6681 Specdb::MsMs 6682 Specdb::MsMs 13079 Specdb::MsMs 13080 Specdb::MsMs 13081 Specdb::MsMs 13352 Specdb::MsMs 13353 Specdb::MsMs 13354 Specdb::MsMs 19751 Specdb::MsMs 19752 Specdb::MsMs 19753 Specdb::MsMs 2796965 Specdb::MsMs 2796966 Specdb::MsMs 2796967 Specdb::MsMs 2881661 Specdb::MsMs 2881662 Specdb::MsMs 2881663 HMDB0030940 Fruits Unknown generic