1.0 2010-04-08 22:06:19 UTC 2019-11-26 03:00:08 UTC FDB004628 4alpha-Methyl-24-ethyl-cholesta-7,24-dien-3beta-ol 4alpha-methyl-24-ethyl-cholesta-7,24-dien-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4alpha-methyl-24-ethyl-cholesta-7,24-dien-3beta-ol can be found in a number of food items such as green bell pepper, garden tomato (variety), pepper (c. annuum), and orange bell pepper, which makes 4alpha-methyl-24-ethyl-cholesta-7,24-dien-3beta-ol a potential biomarker for the consumption of these food products. C30H50O 426.7174 426.386166222 (2S,5S,6S,15R)-14-[(2R)-5-ethyl-6-methylhept-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-ethyl-6-methylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol CCC(CC[C@@H](C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)=C(C)C InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,20-21,24-28,31H,8-10,12-18H2,1-7H3/t20-,21+,24?,25?,26?,27?,28+,29-,30+/m1/s1 HIIFUGOBGVCVLO-WKWGIDKZSA-N belongs to the class of organic compounds known as stigmastanes and derivatives. These are sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24. Stigmastanes and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Stigmastanes and derivatives Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids 3-hydroxy delta-7-steroids Cyclic alcohols and derivatives Delta-7-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 3-beta-hydroxysteroid 3-hydroxy-delta-7-steroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Delta-7-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 7.12 ALOGPS logs -6.20 ALOGPS solubility 2.72e-04 g/l ALOGPS logp 7.76 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,6S,15R)-14-[(2R)-5-ethyl-6-methylhept-5-en-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CCC(CC[C@@H](C)C1CCC2C3=CCC4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)=C(C)C ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h11,20-21,24-28,31H,8-10,12-18H2,1-7H3/t20-,21+,24?,25?,26?,27?,28+,29-,30+/m1/s1 ChemAxon inchikey HIIFUGOBGVCVLO-WKWGIDKZSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.82 ChemAxon polarizability 54.92 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107847 Specdb::MsMs 107848 Specdb::MsMs 107849 Specdb::MsMs 174930 Specdb::MsMs 174931 Specdb::MsMs 174932 Specdb::MsMs 3600752 Specdb::MsMs 3600753 Specdb::MsMs 3600754 Specdb::MsMs 3600755 Specdb::MsMs 3600756 Specdb::MsMs 3600757 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