Identification Common Name Furost-5-ene-3beta,22,26-triol Class Small Molecule Description 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. Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source Furost-5-ene-3b,22,26-triol Generator Furost-5-ene-3β,22,26-triol Generator
Chemical Formula C26 H42 O4 Average Molecular Mass 418.609 g/mol Monoisotopic Mass 418.308 g/mol CAS Registry Number Not Available IUPAC Name (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 Traditional Name (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 SMILES C[C@H]1C2C(CC3C4CC=C5C[C@@H](O)CC[C@]5(C)C4CC[C@]23C)O[C@]1(O)CCCCO InChI Identifier 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 InChI Key DJVDLKHAJBHWLE-MWIJGBPOSA-N Chemical Taxonomy Description 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. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Furostanes and derivatives Direct Parent Furostanes and derivatives Alternative Parents Substituents Furostane-skeleton
22-hydroxysteroid
3-hydroxy-delta-5-steroid
3-hydroxysteroid
3-beta-hydroxysteroid
3-beta-hydroxy-delta-5-steroid
Hydroxysteroid
Delta-5-steroid
Tetrahydrofuran
Cyclic alcohol
Hemiacetal
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Primary alcohol
Organooxygen compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Aliphatic heteropolycyclic compound Molecular Framework Aliphatic heteropolycyclic compounds External Descriptors Not Available 
