1.0 2010-04-08 22:07:01 UTC 2019-11-26 03:01:00 UTC FDB006190 5alpha-Stigmasta-7,25-dien-3beta-ol 24beta-ethyl-25(27)-dehydrolathosterol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24beta-ethyl-25(27)-dehydrolathosterol can be found in cucumber, muskmelon, and watermelon, which makes 24beta-ethyl-25(27)-dehydrolathosterol a potential biomarker for the consumption of these food products. C29H48O 412.6908 412.370516158 (2S,5S,7S,15R)-14-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol (2S,5S,7S,15R)-14-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol [H][C@@]12CC=C3C4CCC([C@H](C)CC[C@@H](CC)C(C)=C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3/t20-,21-,22+,23+,25?,26?,27?,28+,29-/m1/s1 CMQUSRGUOMCHOZ-UAIIRZNTSA-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 7.57 ALOGPS logs -6.43 ALOGPS solubility 1.53e-04 g/l ALOGPS logp 7.5 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2S,5S,7S,15R)-14-[(2R,5R)-5-ethyl-6-methylhept-6-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles [H][C@@]12CC=C3C4CCC([C@H](C)CC[C@@H](CC)C(C)=C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)C2 ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3/t20-,21-,22+,23+,25?,26?,27?,28+,29-/m1/s1 ChemAxon inchikey CMQUSRGUOMCHOZ-UAIIRZNTSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 129.54 ChemAxon polarizability 52.77 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83346 Specdb::MsMs 83347 Specdb::MsMs 83348 Specdb::MsMs 144927 Specdb::MsMs 144928 Specdb::MsMs 144929 Specdb::MsMs 3602630 Specdb::MsMs 3602631 Specdb::MsMs 3602632 Specdb::MsMs 3602633 Specdb::MsMs 3602634 Specdb::MsMs 3602635 Bitter gourd Type 1 specific Momordica charantia 3673