1.0 2010-04-08 22:06:19 UTC 2019-11-26 03:00:08 UTC FDB004627 4alpha,24-Dimethylcholesta-7,24-dien-3beta-ol 4alpha,24-dimethylcholesta-7,24-dien-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha,24-dimethylcholesta-7,24-dien-3beta-ol can be found in a number of food items such as green bell pepper, red bell pepper, garden tomato (variety), and yellow bell pepper, which makes 4alpha,24-dimethylcholesta-7,24-dien-3beta-ol a potential biomarker for the consumption of these food products. C29H48O 412.6908 412.370516158 (2S,5S,6S,15R)-14-[(2R)-5,6-dimethylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol (2S,5S,6S,15R)-14-[(2R)-5,6-dimethylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol C[C@H](CCC(C)=C(C)C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,20-21,23-27,30H,8-9,11-17H2,1-7H3/t20-,21+,23?,24?,25?,26?,27+,28-,29+/m1/s1 KPIRFXVTLHBVFL-TXTDMRFKSA-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-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 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 6.62 ALOGPS logs -6.09 ALOGPS solubility 3.33e-04 g/l ALOGPS logp 7.32 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,6S,15R)-14-[(2R)-5,6-dimethylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles C[C@H](CCC(C)=C(C)C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,20-21,23-27,30H,8-9,11-17H2,1-7H3/t20-,21+,23?,24?,25?,26?,27+,28-,29+/m1/s1 ChemAxon inchikey KPIRFXVTLHBVFL-TXTDMRFKSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 130.22 ChemAxon polarizability 52.95 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85974 Specdb::MsMs 85975 Specdb::MsMs 85976 Specdb::MsMs 148176 Specdb::MsMs 148177 Specdb::MsMs 148178 Specdb::MsMs 3600746 Specdb::MsMs 3600747 Specdb::MsMs 3600748 Specdb::MsMs 3600749 Specdb::MsMs 3600750 Specdb::MsMs 3600751 Garden tomato (var.) Type 1 specific Solanum lycopersicum var. lycopersicum 397755 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