1.0 2011-03-17 23:25:00 UTC 2025-11-19 02:38:43 UTC FDB021626 beta-Sitosterol 3-O-beta-D-Glucuronopyranoside Beta-sitosterol 3-o-beta-d-glucuronopyranoside is a member of the class of compounds known as steroid glucuronide conjugates. Steroid glucuronide conjugates are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Beta-sitosterol 3-o-beta-d-glucuronopyranoside is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Beta-sitosterol 3-o-beta-d-glucuronopyranoside can be found in a number of food items such as dill, bitter gourd, dandelion, and german camomile, which makes beta-sitosterol 3-o-beta-d-glucuronopyranoside a potential biomarker for the consumption of these food products. Stigmast-5-en-3-ol; (3b,24R)-form, O-b-D-Glucuronopyranoside C35H58O7 590.8308 590.41825421 6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 126251-01-2 CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O)C(C)C InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(14-16-34(22,5)27(24)15-17-35(25,26)6)41-33-30(38)28(36)29(37)31(42-33)32(39)40/h10,19-21,23-31,33,36-38H,7-9,11-18H2,1-6H3,(H,39,40) REARGUUVUPUXPW-UHFFFAOYSA-N belongs to the class of organic compounds known as steroid glucuronide conjugates. These are sterol lipids containing a glucuronide moiety linked to the steroid skeleton. Steroid glucuronide conjugates Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds Acetals Beta hydroxy acids and derivatives C24-propyl sterols and derivatives Carbonyl compounds Carboxylic acids Delta-5-steroids Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyrans Secondary alcohols Stigmastanes and derivatives Triterpenoids 1-o-glucuronide Acetal Alcohol Aliphatic heteropolycyclic compound Beta-hydroxy acid C24-propyl-sterol-skeleton Carbonyl group Carboxylic acid Carboxylic acid derivative Delta-5-steroid Glucuronic acid or derivatives Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Pyran Secondary alcohol Steroid-glucuronide-skeleton Stigmastane-skeleton Triterpenoid logp 6.05 ALOGPS logs -5.29 ALOGPS solubility 3.00e-03 g/l ALOGPS melting_point Mp 280-290? logp 6.39 ChemAxon pka_strongest_acidic 3.43 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-{[14-(5-ethyl-6-methylheptan-2-yl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid ChemAxon average_mass 590.8308 ChemAxon mono_mass 590.41825421 ChemAxon smiles CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O)C(C)C ChemAxon formula C35H58O7 ChemAxon inchi InChI=1S/C35H58O7/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(14-16-34(22,5)27(24)15-17-35(25,26)6)41-33-30(38)28(36)29(37)31(42-33)32(39)40/h10,19-21,23-31,33,36-38H,7-9,11-18H2,1-6H3,(H,39,40) ChemAxon inchikey REARGUUVUPUXPW-UHFFFAOYSA-N ChemAxon polar_surface_area 116.45 ChemAxon refractivity 162.05 ChemAxon polarizability 69.95 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 995537 Specdb::MsMs 995538 Specdb::MsMs 995539 Specdb::MsMs 1119695 Specdb::MsMs 1119696 Specdb::MsMs 1119697 Bitter gourd Type 1 specific Momordica charantia 3673 Cloves Type 1 specific Syzygium aromaticum 219868 Common sage Type 1 specific Salvia officinalis 38868 Dandelion Type 1 specific Taraxacum officinale 50225 Dill Type 1 specific Anethum graveolens 40922 German camomile Type 1 specific Matricaria recutita 127986 Olive Type 1 specific Olea europaea 4146 Anti-spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Antitumor 672 A substance that inhibits or prevents the proliferation of neoplasms. Central nervous system depressant 812 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Central nervous system stimulant 816 A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. Convulsant 832 Hypoglycemic 1017 A drug which lowers the blood glucose level.