1.0 2010-04-08 22:04:55 UTC 2019-11-26 02:56:18 UTC FDB001319 Neogitogenin Gitogenin is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Gitogenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gitogenin can be found in fenugreek, which makes gitogenin a potential biomarker for the consumption of this food product. Neogitogenin Yonogenin C27H44O4 432.6359 432.323959896 (1'R,2R,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-15',16'-diol (1'R,2R,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-15',16'-diol 6811-13-8 CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3 FWCXELAAYFYCSR-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids melting_point Mp 248° logp 4.26 ChemAxon pka_strongest_acidic 13.89 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (1'R,2R,4'S,5S,7'S,8'R,9'S,12'S,13'S,15'R,16'R,18'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane]-15',16'-diol ChemAxon average_mass 432.6359 ChemAxon mono_mass 432.323959896 ChemAxon smiles CC1C2C(CC3C4CCC5CC(O)C(O)CC5(C)C4CCC23C)OC11CCC(C)CO1 ChemAxon formula C27H44O4 ChemAxon inchi InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3 ChemAxon inchikey FWCXELAAYFYCSR-UHFFFAOYSA-N ChemAxon polar_surface_area 58.92 ChemAxon refractivity 120.78 ChemAxon polarizability 51.95 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Fenugreek Type 1 specific Trigonella foenum-graecum 78534