1.0 2010-04-08 22:07:34 UTC 2019-11-26 03:01:38 UTC FDB007358 Furost-5-ene-3beta,22,26-triol Furost-5-ene-3beta,22,26-triol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Furost-5-ene-3beta,22,26-triol can be found in fenugreek, which makes furost-5-ene-3beta,22,26-triol a potential biomarker for the consumption of this food product. C26H42O4 418.6093 418.308309832 (6R,7S,9S,13R,16S)-6-(4-hydroxybutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-ene-6,16-diol (6R,7S,9S,13R,16S)-6-(4-hydroxybutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-ene-6,16-diol C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@]1(O)CCCCO InChI=1S/C26H42O4/c1-16-23-22(30-26(16,29)10-4-5-13-27)15-21-19-7-6-17-14-18(28)8-11-24(17,2)20(19)9-12-25(21,23)3/h6,16,18-23,27-29H,4-5,7-15H2,1-3H3/t16-,18-,19?,20?,21?,22?,23?,24-,25-,26+/m0/s1 DJVDLKHAJBHWLE-MWIJGBPOSA-N belongs to the class of organic compounds known as furostanes and derivatives. Furostanes and derivatives are compounds containing or derived from the steroid parent furostane, which is a 16b,22-epoxycholestane derivative, the extra ring being labeled as\nring E. Furostanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Furostanes and derivatives Aliphatic heteropolycyclic compounds 3-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hemiacetals Hydrocarbon derivatives Oxacyclic compounds Primary alcohols Secondary alcohols Tetrahydrofurans 22-hydroxysteroid 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Alcohol Aliphatic heteropolycyclic compound Cyclic alcohol Delta-5-steroid Furostane-skeleton Hemiacetal Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Secondary alcohol Tetrahydrofuran logp 3.71 ALOGPS logs -4.48 ALOGPS solubility 1.39e-02 g/l ALOGPS logp 3.4 ChemAxon pka_strongest_acidic 11.84 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (6R,7S,9S,13R,16S)-6-(4-hydroxybutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icos-18-ene-6,16-diol ChemAxon average_mass 418.6093 ChemAxon mono_mass 418.308309832 ChemAxon smiles C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@]1(O)CCCCO ChemAxon formula C26H42O4 ChemAxon inchi InChI=1S/C26H42O4/c1-16-23-22(30-26(16,29)10-4-5-13-27)15-21-19-7-6-17-14-18(28)8-11-24(17,2)20(19)9-12-25(21,23)3/h6,16,18-23,27-29H,4-5,7-15H2,1-3H3/t16-,18-,19?,20?,21?,22?,23?,24-,25-,26+/m0/s1 ChemAxon inchikey DJVDLKHAJBHWLE-MWIJGBPOSA-N ChemAxon polar_surface_area 69.92 ChemAxon refractivity 119.3 ChemAxon polarizability 50.23 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 104229 Specdb::MsMs 104230 Specdb::MsMs 104231 Specdb::MsMs 170460 Specdb::MsMs 170461 Specdb::MsMs 170462 Specdb::MsMs 3603947 Specdb::MsMs 3603948 Specdb::MsMs 3603949 Specdb::MsMs 3603950 Specdb::MsMs 3603951 Specdb::MsMs 3603952 Fenugreek Type 1 specific Trigonella foenum-graecum 78534