1.02010-04-08 22:12:45 UTC2015-07-20 23:34:16 UTCFDB016950D6-AmbrettolideFlavouring ingredient6-Hexadecen-1,16-olideD6-AmbrettolideFEMA 2555Oxacycloheptadec-7-en-2-oneC16H28O2252.3923252.20893014(7E)-1-oxacycloheptadec-7-en-2-one(7E)-1-oxacycloheptadec-7-en-2-one7779-50-2O=C1CCCC\C=C\CCCCCCCCCO1InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+HMWPDRYGIBLSHB-GQCTYLIASA-N belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.Macrolides and analoguesOrganic compoundsPhenylpropanoids and polyketidesMacrolides and analoguesAliphatic heteromonocyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesLactonesMonocarboxylic acids and derivativesOrganic oxidesOxacyclic compoundsAliphatic heteromonocyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeLactoneMacrolideMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacyclelogp5.89logs-5.76solubility4.40e-04 g/lmelting_pointMp 28.5°logp5.12pka_strongest_basic-7iupac(7E)-1-oxacycloheptadec-7-en-2-oneaverage_mass252.3923mono_mass252.20893014smilesO=C1CCCC\C=C\CCCCCCCCCO1formulaC16H28O2inchiInChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h4,6H,1-3,5,7-15H2/b6-4+inchikeyHMWPDRYGIBLSHB-GQCTYLIASA-Npolar_surface_area26.3refractivity76.64polarizability30.87rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs18729Specdb::CMs150347Specdb::MsMs307603Specdb::MsMs307604Specdb::MsMs307605Specdb::MsMs351586Specdb::MsMs351587Specdb::MsMs351588Specdb::MsMs2351239Specdb::MsMs2351240Specdb::MsMs2351241Specdb::MsMs2584037Specdb::MsMs2584038Specdb::MsMs2584039HMDB37805#<Reference:0x0000555675e7c928>amberberryfruitysoapysweet