1.0 2010-04-08 22:05:08 UTC 2019-11-26 02:56:42 UTC FDB001864 7alpha-Hydroxycampesterol 7alpha-hydroxycampesterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 7alpha-hydroxycampesterol can be found in fennel, which makes 7alpha-hydroxycampesterol a potential biomarker for the consumption of this food product. Ergost-5-ene-3,7-diol Ergost-5-ene-3,7-diol, (3beta,7alpha,24R)- Ergost-5-ene-3beta,7alpha-diol C28H48O2 416.6795 416.36543078 (2R,5S,9S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol (2R,5S,9S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol 64780-73-0 CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-26,29-30H,7-15H2,1-6H3/t18-,19-,21+,22?,23?,24?,25-,26?,27+,28-/m1/s1 QZTNWQQTEVRSMC-LVCDOHBPSA-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-beta-hydroxy delta-5-steroids 3-beta-hydroxysteroids 7-hydroxysteroids Cyclic alcohols and derivatives Delta-5-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxy-delta-5-steroid 3-beta-hydroxysteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-5-steroid Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 5.52 ALOGPS logs -6.16 ALOGPS solubility 2.90e-04 g/l ALOGPS logp 6.25 ChemAxon pka_strongest_acidic 18.2 ChemAxon pka_strongest_basic -0.83 ChemAxon iupac (2R,5S,9S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-5,9-diol ChemAxon average_mass 416.6795 ChemAxon mono_mass 416.36543078 ChemAxon smiles CC(C)[C@H](C)CC[C@@H](C)C1CCC2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H48O2 ChemAxon inchi InChI=1S/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-26-24(12-14-28(22,23)6)27(5)13-11-21(29)15-20(27)16-25(26)30/h16-19,21-26,29-30H,7-15H2,1-6H3/t18-,19-,21+,22?,23?,24?,25-,26?,27+,28-/m1/s1 ChemAxon inchikey QZTNWQQTEVRSMC-LVCDOHBPSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 126.6 ChemAxon polarizability 52.65 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59400 Specdb::MsMs 59401 Specdb::MsMs 59402 Specdb::MsMs 115524 Specdb::MsMs 115525 Specdb::MsMs 115526 Specdb::MsMs 3598825 Specdb::MsMs 3598826 Specdb::MsMs 3598827 Specdb::MsMs 3599702 Specdb::MsMs 3599703 Specdb::MsMs 3599704 Fennel Type 1 specific Foeniculum vulgare 48038