1.0 2010-04-08 22:06:27 UTC 2019-11-26 03:00:18 UTC FDB004920 24beta-Ethyllophenol 24beta-ethyllophenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 24beta-ethyllophenol can be found in watermelon, which makes 24beta-ethyllophenol a potential biomarker for the consumption of this food product. C30H52O 428.7333 428.401816286 (2S,5S,6S,7S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol (2S,5S,6S,7S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol [H][C@@]12CC=C3C4CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)[C@H]2C InChI=1S/C30H52O/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/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3/t20-,21+,22-,24-,25+,26?,27?,28+,29-,30+/m1/s1 IYIFZADLIMVECH-UWKNRZRVSA-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 7.58 ALOGPS logs -7.32 ALOGPS solubility 2.06e-05 g/l ALOGPS logp 8.21 ChemAxon pka_strongest_acidic 18.96 ChemAxon pka_strongest_basic -1.1 ChemAxon iupac (2S,5S,6S,7S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,6,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-ol ChemAxon average_mass 428.7333 ChemAxon mono_mass 428.401816286 ChemAxon smiles [H][C@@]12CC=C3C4CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]4(C)CCC3[C@@]1(C)CC[C@H](O)[C@H]2C ChemAxon formula C30H52O ChemAxon inchi InChI=1S/C30H52O/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/h11,19-22,24-28,31H,8-10,12-18H2,1-7H3/t20-,21+,22-,24-,25+,26?,27?,28+,29-,30+/m1/s1 ChemAxon inchikey IYIFZADLIMVECH-UWKNRZRVSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.24 ChemAxon polarizability 56.14 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73851 Specdb::MsMs 73852 Specdb::MsMs 73853 Specdb::MsMs 133098 Specdb::MsMs 133099 Specdb::MsMs 133100 Specdb::MsMs 3601199 Specdb::MsMs 3601200 Specdb::MsMs 3601201 Specdb::MsMs 3601202 Specdb::MsMs 3601203 Specdb::MsMs 3601204 Watermelon Type 1 specific Citrullus lanatus 3654