1.0 2010-04-08 22:11:43 UTC 2019-11-26 03:11:18 UTC FDB015212 15-Palmitoylsolamin Constituent of Annona muricata (soursop). 15-Palmitoylsolamin is found in fruits. 15-Hexadecanoylsolamin 15-Palmitoylsolamin C51H94O6 803.2885 802.70504074 1-[5-(1-hydroxytridecyl)oxolan-2-yl]-13-(5-methyl-2-oxo-2,5-dihydrofuran-3-yl)tridecyl hexadecanoate 1-[5-(1-hydroxytridecyl)oxolan-2-yl]-13-(5-methyl-2-oxo-5H-furan-3-yl)tridecyl hexadecanoate 213313-60-1 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC1=CC(C)OC1=O)C1CCC(O1)C(O)CCCCCCCCCCCC InChI=1S/C51H94O6/c1-4-6-8-10-12-14-16-17-18-24-28-32-36-40-50(53)57-48(39-35-31-27-23-20-19-21-25-29-33-37-45-43-44(3)55-51(45)54)49-42-41-47(56-49)46(52)38-34-30-26-22-15-13-11-9-7-5-2/h43-44,46-49,52H,4-42H2,1-3H3 GBSUIQLRRKMVMZ-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 Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Fatty alcohol esters Hydrocarbon derivatives Lactones Long-chain fatty alcohols 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 Dicarboxylic acid or derivatives Dihydrofuran Enoate ester Ether Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Lactone Long chain fatty alcohol Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Secondary alcohol Tetrahydrofuran logp 10.50 ALOGPS logs -7.60 ALOGPS solubility 2.02e-05 g/l ALOGPS logp 17.4 ChemAxon pka_strongest_acidic 14.15 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 1-[5-(1-hydroxytridecyl)oxolan-2-yl]-13-(5-methyl-2-oxo-2,5-dihydrofuran-3-yl)tridecyl hexadecanoate ChemAxon average_mass 803.2885 ChemAxon mono_mass 802.70504074 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC1=CC(C)OC1=O)C1CCC(O1)C(O)CCCCCCCCCCCC ChemAxon formula C51H94O6 ChemAxon inchi InChI=1S/C51H94O6/c1-4-6-8-10-12-14-16-17-18-24-28-32-36-40-50(53)57-48(39-35-31-27-23-20-19-21-25-29-33-37-45-43-44(3)55-51(45)54)49-42-41-47(56-49)46(52)38-34-30-26-22-15-13-11-9-7-5-2/h43-44,46-49,52H,4-42H2,1-3H3 ChemAxon inchikey GBSUIQLRRKMVMZ-UHFFFAOYSA-N ChemAxon polar_surface_area 82.06 ChemAxon refractivity 239.6 ChemAxon polarizability 107.55 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 788279 Specdb::MsMs 53559 Specdb::MsMs 53560 Specdb::MsMs 53561 Specdb::MsMs 110733 Specdb::MsMs 110734 Specdb::MsMs 110735 Specdb::MsMs 2820984 Specdb::MsMs 2820985 Specdb::MsMs 2820986 Specdb::MsMs 2858558 Specdb::MsMs 2858559 Specdb::MsMs 2858560 HMDB36341 #<Reference:0x000055ce32296048> Fruits Unknown generic