1.02010-04-08 22:15:15 UTC2019-11-26 03:19:24 UTCFDB020763SolaminConstituent of Annona glabra (pond apple), Annona muricata (soursop) and Annona reticulata (custard apple). Solamin is found in alcoholic beverages and fruits.3-[13-Hydroxy-13-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]tridecyl]-5-methyl-2(5H)-furanone, 9CI4-DesoxyhowiicinSolamineC35H64O5564.8797564.4753751583-{13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5-methyl-2,5-dihydrofuran-2-one3-{13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5-methyl-5H-furan-2-one158705-59-0CCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=OInChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3RBSBTRALZZSVBA-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 acetogeninsOrganic compoundsLipids and lipid-like moleculesFatty AcylsFatty alcoholsAliphatic heteromonocyclic compoundsButenolidesCarbonyl compoundsDialkyl ethersEnoate estersHydrocarbon derivativesLactonesLong-chain fatty alcoholsMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsSecondary alcoholsTetrahydrofurans2-furanoneAlcoholAliphatic heteromonocyclic compoundAlpha,beta-unsaturated carboxylic esterAnnonaceae acetogenin skeletonCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDialkyl etherDihydrofuranEnoate esterEtherHydrocarbon derivativeLactoneLong chain fatty alcoholMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleSecondary alcoholTetrahydrofuranlogp8.95logs-6.68solubility1.18e-04 g/lmelting_pointMp 76-77° (64-68°)logp10.48pka_strongest_acidic13.87pka_strongest_basic-3.1iupac3-{13-hydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]tridecyl}-5-methyl-2,5-dihydrofuran-2-oneaverage_mass564.8797mono_mass564.475375158smilesCCCCCCCCCCCCC(O)C1CCC(O1)C(O)CCCCCCCCCCCCC1=CC(C)OC1=OformulaC35H64O5inchiInChI=1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3inchikeyRBSBTRALZZSVBA-UHFFFAOYSA-Npolar_surface_area75.99refractivity166polarizability73.22rotatable_bond_count26acceptor_count4donor_count2physiological_charge0formal_charge0Specdb::CMs26157Specdb::CMs42937Specdb::CMs282104Specdb::CMs359004Specdb::CMs359005Specdb::CMs359006Specdb::CMs359007Specdb::CMs359008Specdb::MsMs102609Specdb::MsMs102610Specdb::MsMs102611Specdb::MsMs168465Specdb::MsMs168466Specdb::MsMs168467Specdb::MsMs2351962Specdb::MsMs2351963Specdb::MsMs2351964Specdb::MsMs2582954Specdb::MsMs2582955Specdb::MsMs2582956HMDB32732#<Reference:0x0000555675b09980>#<Reference:0x0000555675b096b0>Alcoholic beveragesUnknowngenericFruitsUnknowngeneric