1.0 2010-04-08 22:06:19 UTC 2019-11-26 03:00:08 UTC FDB004629 4alpha-Methyl-5alpha-cholest-8(14)-en-3beta-ol 4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol can be found in a number of food items such as orange bell pepper, green bell pepper, red bell pepper, and pepper (c. annuum), which makes 4alpha-methyl-5alpha-cholest-8(14)-en-3beta-ol a potential biomarker for the consumption of these food products. C28H48O 400.6801 400.370516158 (2S,5S,6S,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol (2S,5S,6S,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol CC(C)CCC[C@@H](C)C1CCC2=C3CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22?,23?,25?,26+,27-,28+/m1/s1 UIPYFONRKZTOIY-SDKOPQMHSA-N belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Cholesterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cholesterol-skeleton Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 6.67 ALOGPS logs -6.32 ALOGPS solubility 1.92e-04 g/l ALOGPS logp 7.43 ChemAxon pka_strongest_acidic 18.89 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,6S,15R)-2,6,15-trimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol ChemAxon average_mass 400.6801 ChemAxon mono_mass 400.370516158 ChemAxon smiles CC(C)CCC[C@@H](C)C1CCC2=C3CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C28H48O ChemAxon inchi InChI=1S/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-23,25-26,29H,7-17H2,1-6H3/t19-,20+,22?,23?,25?,26+,27-,28+/m1/s1 ChemAxon inchikey UIPYFONRKZTOIY-SDKOPQMHSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 124.82 ChemAxon polarizability 51.88 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81828 Specdb::MsMs 81829 Specdb::MsMs 81830 Specdb::MsMs 143037 Specdb::MsMs 143038 Specdb::MsMs 143039 Specdb::MsMs 3600758 Specdb::MsMs 3600759 Specdb::MsMs 3600760 Specdb::MsMs 3600761 Specdb::MsMs 3600762 Specdb::MsMs 3600763 Green bell pepper Type 1 specific Capsicum annuum 4072 Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072