1.0 2010-04-08 22:06:20 UTC 2019-11-26 03:00:08 UTC FDB004637 5alpha-Cholest-8(14)-en-3beta-ol 5alpha-cholest-8(14)-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 5alpha-cholest-8(14)-en-3beta-ol can be found in a number of food items such as green bell pepper, red bell pepper, yellow bell pepper, and orange bell pepper, which makes 5alpha-cholest-8(14)-en-3beta-ol a potential biomarker for the consumption of these food products. C27H46O 386.6535 386.354866094 (2S,5S,7S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol (2S,5S,7S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol [H][C@@]12CCC3=C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23?,25?,26+,27-/m1/s1 ONYPIMNXSARKFQ-SCGBYFLASA-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 6.54 ALOGPS logs -6.21 ALOGPS solubility 2.41e-04 g/l ALOGPS logp 7.07 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2S,5S,7S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-10-en-5-ol ChemAxon average_mass 386.6535 ChemAxon mono_mass 386.354866094 ChemAxon smiles [H][C@@]12CCC3=C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 ChemAxon formula C27H46O ChemAxon inchi InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23,25,28H,6-17H2,1-5H3/t19-,20+,21+,23?,25?,26+,27-/m1/s1 ChemAxon inchikey ONYPIMNXSARKFQ-SCGBYFLASA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 120.35 ChemAxon polarizability 49.97 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45942 Specdb::MsMs 45943 Specdb::MsMs 45944 Specdb::MsMs 153363 Specdb::MsMs 153364 Specdb::MsMs 153365 Specdb::MsMs 3600785 Specdb::MsMs 3600786 Specdb::MsMs 3600787 Specdb::MsMs 3600788 Specdb::MsMs 3600789 Specdb::MsMs 3600790 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