1.0 2010-04-08 22:06:36 UTC 2019-11-26 03:00:27 UTC FDB005279 24-Ethylcholesta-5-en-7beta-ol 24-ethylcholesta-5-en-7beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24-ethylcholesta-5-en-7beta-ol can be found in cucumber, which makes 24-ethylcholesta-5-en-7beta-ol a potential biomarker for the consumption of this food product. C29H50O 414.7067 414.386166222 (2R,9R,15R)-14-[(2R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-ol (2R,9R,15R)-14-[(2R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-ol CCC(CC[C@@H](C)C1CCC2C3[C@@H](O)C=C4CCCC[C@]4(C)C3CC[C@]12C)C(C)C InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21?,23?,24?,25?,26+,27?,28+,29-/m1/s1 DYMJMYRIBWWKMH-WCZAINPMSA-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 7-alpha-hydroxysteroids Delta-5-steroids Hydrocarbon derivatives Secondary alcohols Triterpenoids 7-alpha-hydroxysteroid 7-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Delta-5-steroid Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 6.81 ALOGPS logs -7.23 ALOGPS solubility 2.45e-05 g/l ALOGPS logp 8.08 ChemAxon pka_strongest_acidic 19.2 ChemAxon pka_strongest_basic -0.96 ChemAxon iupac (2R,9R,15R)-14-[(2R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-9-ol ChemAxon average_mass 414.7067 ChemAxon mono_mass 414.386166222 ChemAxon smiles CCC(CC[C@@H](C)C1CCC2C3[C@@H](O)C=C4CCCC[C@]4(C)C3CC[C@]12C)C(C)C ChemAxon formula C29H50O ChemAxon inchi InChI=1S/C29H50O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h18-21,23-27,30H,7-17H2,1-6H3/t20-,21?,23?,24?,25?,26+,27?,28+,29-/m1/s1 ChemAxon inchikey DYMJMYRIBWWKMH-WCZAINPMSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.54 ChemAxon polarizability 53.6 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 45417 Specdb::MsMs 45418 Specdb::MsMs 45419 Specdb::MsMs 136992 Specdb::MsMs 136993 Specdb::MsMs 136994 Specdb::MsMs 3601583 Specdb::MsMs 3601584 Specdb::MsMs 3601585 Specdb::MsMs 3602594 Specdb::MsMs 3602595 Specdb::MsMs 3602596 Cucumber Type 1 specific Cucumis sativus 3659