1.0 2010-04-08 22:07:02 UTC 2019-11-26 03:01:01 UTC FDB006225 (24S)-14alpha,24-Dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol (24s)-14alpha,24-dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (24s)-14alpha,24-dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol can be found in french plantain, which makes (24s)-14alpha,24-dimethyl-9beta,19-cyclo-5alpha-cholest-25en-3beta-ol a potential biomarker for the consumption of this food product. C29H48O 412.6908 412.370516158 (1S,3R,6S,8S,12S,15S,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol (1S,3R,6S,8S,12S,15S,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol [H][C@@]12CCC3[C@@]4(C[C@]14CC[C@H](O)C2)CC[C@]1(C)[C@@H](CC[C@@]31C)[C@H](C)CC[C@@H](C)C(C)=C InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3/t20-,21-,22+,23+,24+,25?,26-,27+,28-,29+/m1/s1 NEYDVBKPEQZSBX-YSCDFPNXSA-N belongs to the class of organic compounds known as ergosterols and derivatives. These are steroids containing ergosta-5,7,22-trien-3beta-ol or a derivative thereof, which is based on the 3beta-hydroxylated ergostane skeleton. Ergosterols and derivatives Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Ergostane steroids Aliphatic homopolycyclic compounds 3-beta-hydroxysteroids Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols 3-beta-hydroxysteroid 3-hydroxysteroid Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Ergosterol-skeleton Hydrocarbon derivative Hydroxysteroid Organic oxygen compound Organooxygen compound Secondary alcohol logp 6.28 ALOGPS logs -6.52 ALOGPS solubility 1.26e-04 g/l ALOGPS logp 7.15 ChemAxon pka_strongest_acidic 18.3 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (1S,3R,6S,8S,12S,15S,16R)-15-[(2R,5R)-5,6-dimethylhept-6-en-2-yl]-12,16-dimethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-ol ChemAxon average_mass 412.6908 ChemAxon mono_mass 412.370516158 ChemAxon smiles [H][C@@]12CCC3[C@@]4(C[C@]14CC[C@H](O)C2)CC[C@]1(C)[C@@H](CC[C@@]31C)[C@H](C)CC[C@@H](C)C(C)=C ChemAxon formula C29H48O ChemAxon inchi InChI=1S/C29H48O/c1-19(2)20(3)7-8-21(4)24-12-13-27(6)25-10-9-22-17-23(30)11-14-28(22)18-29(25,28)16-15-26(24,27)5/h20-25,30H,1,7-18H2,2-6H3/t20-,21-,22+,23+,24+,25?,26-,27+,28-,29+/m1/s1 ChemAxon inchikey NEYDVBKPEQZSBX-YSCDFPNXSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 126.64 ChemAxon polarizability 52.63 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 65820 Specdb::MsMs 65821 Specdb::MsMs 65822 Specdb::MsMs 123264 Specdb::MsMs 123265 Specdb::MsMs 123266 Specdb::MsMs 3602663 Specdb::MsMs 3602664 Specdb::MsMs 3602665 Specdb::MsMs 3602666 Specdb::MsMs 3602667 Specdb::MsMs 3602668 French plantain Type 1 specific Musa X paradisiaca 89151