1.0 2010-04-08 22:06:37 UTC 2025-11-18 22:58:47 UTC FDB005294 Stellasterol Stellasterol belongs to ergosterols and derivatives class of compounds. Those are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Stellasterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Stellasterol can be found in cucumber, which makes stellasterol a potential biomarker for the consumption of this food product. C28H46O 398.6642 398.354866094 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol CC(C)C(C)\C=C/C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7- QOXPZVASXWSKKU-FPLPWBNLSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 7.13 ALOGPS logs -6.95 ALOGPS solubility 4.44e-05 g/l ALOGPS logp 7.04 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac 14-[(3Z)-5,6-dimethylhept-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 398.6642 ChemAxon mono_mass 398.354866094 ChemAxon smiles CC(C)C(C)\C=C/C(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C ChemAxon formula C28H46O ChemAxon inchi InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7- ChemAxon inchikey QOXPZVASXWSKKU-FPLPWBNLSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 126.28 ChemAxon polarizability 50.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 89823 Specdb::MsMs 89824 Specdb::MsMs 89825 Specdb::MsMs 152826 Specdb::MsMs 152827 Specdb::MsMs 152828 Specdb::MsMs 3601622 Specdb::MsMs 3601623 Specdb::MsMs 3601624 Specdb::MsMs 3601625 Specdb::MsMs 3601626 Specdb::MsMs 3601627 Cucumber Type 1 specific Cucumis sativus 3659