1.02010-04-08 22:11:28 UTC2019-11-26 03:10:45 UTCFDB014790ZapoterinConstituent of the seeds of Casimiroa edulis (Mexican apple). Zapoterin is found in pomes.ZapoterinC26H30O8470.5116470.1940679367-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione35796-71-5CC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1InChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3OZGKITZRRFNYRV-UHFFFAOYSA-N belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.LimonoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAromatic heteropolycyclic compounds1,4-dioxepanesCyclic alcohols and derivativesDelta valerolactonesDialkyl ethersDicarboxylic acids and derivativesEnoate estersEpoxidesFuransHeteroaromatic compoundsHydrocarbon derivativesKetonesNaphthalenesNaphthopyransOrganic oxidesOxacyclic compoundsOxanesPyransSecondary alcohols1,4-dioxepaneAlcoholAlpha,beta-unsaturated carboxylic esterAromatic heteropolycyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCyclic alcoholDelta valerolactoneDelta_valerolactoneDialkyl etherDicarboxylic acid or derivativesDioxepaneEnoate esterEtherFuranHeteroaromatic compoundHydrocarbon derivativeKetoneLactoneLimonoid skeletonNaphthaleneNaphthopyranOrganic oxideOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxaneOxiranePyranSecondary alcohollogp2.53logs-3.87solubility6.28e-02 g/lmelting_pointMp 257-259°logp2.57pka_strongest_acidic14.85pka_strongest_basic-2.9iupac7-(furan-3-yl)-10-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trioneaverage_mass470.5116mono_mass470.194067936smilesCC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1formulaC26H30O8inchiInChI=1S/C26H30O8/c1-22(2)15-10-16(28)25(5)18(23(15,3)8-6-17(29)33-22)14(27)11-24(4)19(13-7-9-31-12-13)32-21(30)20-26(24,25)34-20/h6-9,12,14-15,18-20,27H,10-11H2,1-5H3inchikeyOZGKITZRRFNYRV-UHFFFAOYSA-Npolar_surface_area115.57refractivity117.78polarizability48.06rotatable_bond_count1acceptor_count5donor_count1physiological_charge0formal_charge0Specdb::CMs12546Specdb::CMs44670Specdb::CMs146543Specdb::MsMs9269Specdb::MsMs9270Specdb::MsMs9271Specdb::MsMs15941Specdb::MsMs15942Specdb::MsMs15943Specdb::MsMs2720496Specdb::MsMs2720497Specdb::MsMs2720498Specdb::MsMs2958018Specdb::MsMs2958019Specdb::MsMs2958020HMDB35984#<Reference:0x00005556740a0aa8>PomesUnknowngeneric