1.02010-04-08 22:07:03 UTC2020-09-17 15:31:08 UTCFDB006240NonancosaneNonacosane, also known as CH3-[CH2]27-CH3, with a molecular formula of C29H60, is a straight-chain hydrocarbon with 1,590,507,121 constitutional isomers. It belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2, and consist entirely of hydrogen atoms and saturated carbon atoms. Nonacosane is a hydrocarbon lipid molecule that is very hydrophobic, practically insoluble in water, and relatively neutral. It can also be prepared synthetically. Nonacosane has been detected in peaches, ginkgo nuts, cauliflowers, arabica coffee, and lambs quarters. This could make nonacosane a potential biomarker for the consumption of these foods. Nonacosane occurs naturally and has been reported to be a component of a pheromone of Orgyia leucostigma. Evidence suggests it plays a role in the chemical communication of several insects, including the female Anopheles stephensi (a mosquito).C29H60408.7867408.46950192nonacosanenonacosane630-03-5CCCCCCCCCCCCCCCCCCCCCCCCCCCCCInChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3IGGUPRCHHJZPBS-UHFFFAOYSA-N belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.AlkanesOrganic compoundsHydrocarbonsSaturated hydrocarbonsAlkanesAliphatic acyclic compoundsAcyclic alkaneAliphatic acyclic compoundAlkaneHydrocarbonsHydrocarbonsan alkanelong-chain alkanelogp10.90logs-7.97solubility4.39e-06 g/llogp13.36iupacnonacosaneaverage_mass408.7867mono_mass408.46950192smilesCCCCCCCCCCCCCCCCCCCCCCCCCCCCCformulaC29H60inchiInChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3inchikeyIGGUPRCHHJZPBS-UHFFFAOYSA-Npolar_surface_area0refractivity135.23polarizability61.27rotatable_bond_count26acceptor_count0donor_count0physiological_charge0formal_charge0Specdb::EiMs1819Specdb::NmrOneD3948Specdb::NmrOneD4230Specdb::CMs2183Specdb::CMs23395Specdb::CMs29002Specdb::CMs31643Specdb::CMs165217Specdb::MsMs84015Specdb::MsMs84016Specdb::MsMs84017Specdb::MsMs145764Specdb::MsMs145765Specdb::MsMs145766Specdb::MsMs2706374Specdb::MsMs2706375Specdb::MsMs2706376Specdb::MsMs2999353Specdb::MsMs2999354Specdb::MsMs2999355French plantainType 1specificMusa X paradisiaca89151