1.0 2010-04-08 22:06:36 UTC 2019-11-26 03:00:27 UTC FDB005275 (24R)-14alpha-Methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol can be found in cucumber, which makes (24r)-14alpha-methyl-24-ethyl-5alpha-cholest-9(11)-en-3beta-ol a potential biomarker for the consumption of this food product. C30H52O 428.7333 428.401816286 (2S,5S,7S,11S,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,11,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol (2S,5S,7S,11S,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,11,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol [H][C@@]12CCC3C(=CC[C@]4(C)C(CC[C@@]34C)[C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@H](O)C2 InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h15,20-25,27,31H,8-14,16-19H2,1-7H3/t21-,22+,23+,24+,25?,27?,28+,29-,30+/m1/s1 NPGVSXYVQBUVAB-AIFFMEJNSA-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 14-alpha-methylsteroids 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Triterpenoids 14-alpha-methylsteroid 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol Stigmastane-skeleton Triterpenoid logp 8.01 ALOGPS logs -7.25 ALOGPS solubility 2.40e-05 g/l ALOGPS logp 8.14 ChemAxon pka_strongest_acidic 18.36 ChemAxon pka_strongest_basic -1.3 ChemAxon iupac (2S,5S,7S,11S,15R)-14-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-2,11,15-trimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(17)-en-5-ol ChemAxon average_mass 428.7333 ChemAxon mono_mass 428.401816286 ChemAxon smiles [H][C@@]12CCC3C(=CC[C@]4(C)C(CC[C@@]34C)[C@H](C)CC[C@H](CC)C(C)C)[C@@]1(C)CC[C@H](O)C2 ChemAxon formula C30H52O ChemAxon inchi InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)25-14-17-30(7)27-12-11-23-19-24(31)13-16-28(23,5)26(27)15-18-29(25,30)6/h15,20-25,27,31H,8-14,16-19H2,1-7H3/t21-,22+,23+,24+,25?,27?,28+,29-,30+/m1/s1 ChemAxon inchikey NPGVSXYVQBUVAB-AIFFMEJNSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 134.24 ChemAxon polarizability 55.9 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 98760 Specdb::MsMs 98761 Specdb::MsMs 98762 Specdb::MsMs 163758 Specdb::MsMs 163759 Specdb::MsMs 163760 Specdb::MsMs 3601559 Specdb::MsMs 3601560 Specdb::MsMs 3601561 Specdb::MsMs 3601562 Specdb::MsMs 3601563 Specdb::MsMs 3601564 Cucumber Type 1 specific Cucumis sativus 3659