1.0 2010-04-08 22:06:34 UTC 2025-11-18 22:58:30 UTC FDB005190 Coriandrinol Coriandrinol belongs to stigmastanes and derivatives class of compounds. Those are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Coriandrinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Coriandrinol can be found in coriander, which makes coriandrinol a potential biomarker for the consumption of this food product. (3-beta)-Stigmast-5-en-3-yl-beta-D-glucopyranoside 3-beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene 3beta-(beta-D-Glucopyranosyloxy)stigmast-5-ene beta-D-Glucopyranoside, (3beta)-stigmast-5-en-3-yl Beta-sitosterol monoglucoside Beta-sitosteryl glucoside Lyoniside Sitogluside [usan:inn] Sitoglusido Sitoglusidum Sitosterol d-glucoside Sitosteryl glycoside Stigmast-5-ene, 3-beta-(beta-D-glucopyranosyloxy)- C35H60O6 576.859 576.438989652 (2R,3R,4S,5S,6R)-2-{[(1S,2R,10S,11S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol (2R,3R,4S,5S,6R)-2-{[(1S,2R,10S,11S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 474-58-8 [H][C@@](C)(CC[C@@]([H])(CC)C(C)C)C1([H])CC[C@@]2([H])[C@]3([H])CC=C4CC([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 NPJICTMALKLTFW-QYDWNGEASA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic heteropolycyclic compounds Acetals C24-propyl sterols and derivatives Delta-5-steroids Hexoses Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Steroidal glycosides Triterpenoids Acetal Alcohol Aliphatic heteropolycyclic compound C24-propyl-sterol-skeleton Delta-5-steroid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Steroidal glycoside Stigmastane-skeleton Triterpenoid logp 5.71 ALOGPS logs -5.31 ALOGPS solubility 2.85e-03 g/l ALOGPS logp 6.07 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5S,6R)-2-{[(1S,2R,10S,11S,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 576.859 ChemAxon mono_mass 576.438989652 ChemAxon smiles [H][C@@](C)(CC[C@@]([H])(CC)C(C)C)C1([H])CC[C@@]2([H])[C@]3([H])CC=C4CC([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C35H60O6 ChemAxon inchi InChI=1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24?,25+,26?,27+,28+,29-,30-,31+,32-,33-,34+,35-/m1/s1 ChemAxon inchikey NPJICTMALKLTFW-QYDWNGEASA-N ChemAxon polar_surface_area 99.38 ChemAxon refractivity 162.18 ChemAxon polarizability 69.48 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45984 Specdb::MsMs 45985 Specdb::MsMs 45986 Specdb::MsMs 134706 Specdb::MsMs 134707 Specdb::MsMs 134708 Specdb::MsMs 3601475 Specdb::MsMs 3601476 Specdb::MsMs 3601477 Specdb::MsMs 3601478 Specdb::MsMs 3601479 Specdb::MsMs 3601480 Coriander Type 1 specific Coriandrum sativum 4047