1.0 2010-04-08 22:11:28 UTC 2019-11-26 03:10:45 UTC FDB014790 Zapoterin Constituent of the seeds of Casimiroa edulis (Mexican apple). Zapoterin is found in pomes. Zapoterin C26H30O8 470.5116 470.194067936 7-(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-trione 7-(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-trione 35796-71-5 CC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1 InChI=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,10-11H2,1-5H3 OZGKITZRRFNYRV-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. Limonoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aromatic heteropolycyclic compounds 1,4-dioxepanes Cyclic alcohols and derivatives Delta valerolactones Dialkyl ethers Dicarboxylic acids and derivatives Enoate esters Epoxides Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Naphthalenes Naphthopyrans Organic oxides Oxacyclic compounds Oxanes Pyrans Secondary alcohols 1,4-dioxepane Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Delta valerolactone Delta_valerolactone Dialkyl ether Dicarboxylic acid or derivatives Dioxepane Enoate ester Ether Furan Heteroaromatic compound Hydrocarbon derivative Ketone Lactone Limonoid skeleton Naphthalene Naphthopyran Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Pyran Secondary alcohol logp 2.53 ALOGPS logs -3.87 ALOGPS solubility 6.28e-02 g/l ALOGPS melting_point Mp 257-259° logp 2.57 ChemAxon pka_strongest_acidic 14.85 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 7-(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-trione ChemAxon average_mass 470.5116 ChemAxon mono_mass 470.194067936 ChemAxon smiles CC12CC(O)C3C4(C)C=CC(=O)OC(C)(C)C4CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1 ChemAxon formula C26H30O8 ChemAxon inchi InChI=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,10-11H2,1-5H3 ChemAxon inchikey OZGKITZRRFNYRV-UHFFFAOYSA-N ChemAxon polar_surface_area 115.57 ChemAxon refractivity 117.78 ChemAxon polarizability 48.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12546 Specdb::CMs 44670 Specdb::CMs 146543 Specdb::MsMs 9269 Specdb::MsMs 9270 Specdb::MsMs 9271 Specdb::MsMs 15941 Specdb::MsMs 15942 Specdb::MsMs 15943 Specdb::MsMs 2720496 Specdb::MsMs 2720497 Specdb::MsMs 2720498 Specdb::MsMs 2958018 Specdb::MsMs 2958019 Specdb::MsMs 2958020 HMDB35984 #<Reference:0x000055ce3056a488> Pomes Unknown generic